SCHEMBL282079

SCHEMBL282079

[O-][n+]1cccc2cc3c(cc21)NCCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
ATM Q13315 1/20 0.33
AR P10275 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1437934 0.76 ALDH1A1 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL4175406 0.72 PNMT (0.41)
SCHEMBL34463424 0.69 CA12 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL14742904 0.66 ATM (0.54) MAPTKDM4EALDH1A1LMNAALOX15
SCHEMBL5755884 0.64 ALDH1A1 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL18403327 0.64 CA12 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL15290389 0.64 MAPT (0.47) CA12CA1CA2CA9MAPT
SCHEMBL3730208 0.63 ATM (0.40) MAPTLMNAHTTATM
SCHEMBL5894181 0.63 ATM (0.40) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL9227699 0.63 ATM (0.40) MAPTLMNAHTTATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592243-B2 Medical devices and methods comprising an anabolic agent for treatment of an injury WARSAW ORTHOPEDIC, INC. (US) 2017-03-14 US claimed
US-20150320739-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II BAUSCH HEALTH IRELAND LIMITED (F/K/A/ VALEANT PHARMACEUTICALS IRELAND LIMITED) (IE) 2015-11-12 US claimed
US-20130203766-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II SPROUT PHARMACEUTICALS, INC. (US) 2013-08-08 US claimed
US-20110105519-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II SPROUT PHARMACEUTICALS, INC. 2011-05-05 US claimed
US-20080103155-A1 Pharmaceutical compositions for the treatment of sexual disorders II SPROUT PHARMACEUTICALS, INC. 2008-05-01 US claimed
EP-1740181-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SEXUAL DISORDERS II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP claimed
US-20050245539-A1 Pharmaceutical compositions for the treatment of sexual disorders II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US claimed
WO-2005102342-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SEXUAL DISORDERS II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO claimed
US-20040044080-A1 Treatment of dyspareunia with topically administered nitroglycerin formulations VIVUS, INC. 2004-03-04 US claimed
EP-2779996-B1 DRUG DELIVERY SYSTEM FOR SUSTAINED DELIVERY OF BIOACTIVE AGENTS UPM KYMMENE CORP (FI) 2024-04-10 EP disclosed
US-11389537-B2 Drug delivery system for sustained delivery of bioactive agents UPM-KYMMENE CORPORATION (FI) 2022-07-19 US disclosed
US-10925885-B2 Thyromimetics for the treatment of fatty liver diseases METABASIS THERAPEUTICS, INC. (US) 2021-02-23 US disclosed
US-10420781-B2 Thyroid hormone receptor agonist and use thereof METABASIS THERAPEUTICS INC. (US) 2019-09-24 US disclosed
US-20190083515-A1 THYROMIMETICS FOR THE TREATMENT OF FATTY LIVER DISEASES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-03-21 US disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US disclosed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 WO disclosed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US disclosed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 WO disclosed
US-20040044080-A1 Treatment of dyspareunia with topically administered nitroglycerin formulations VIVUS, INC. 2004-03-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10420781-B2 Thyroid hormone receptor agonist and use thereof THRB, THRA, TSHR CA12 3833/4885CA1 4352/4885CA2 4455/4885
US-10925885-B2 Thyromimetics for the treatment of fatty liver diseases TSHR, THRA, FABP1 CA12 3240/4885CA1 3204/4885CA2 3631/4885
US-20080103155-A1 Pharmaceutical compositions for the treatment of sexual disorders II FLNB, FLNA, FGB CA12 3751/4885CA1 4727/4885CA2 4077/4885
US-20190083515-A1 THYROMIMETICS FOR THE TREATMENT OF FATTY LIVER DISEASES TSHR, THRA, FABP1 CA12 3223/4885CA1 3176/4885CA2 3614/4885
US-20130203766-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II FLNB, FLNA, FGB CA12 3751/4885CA1 4727/4885CA2 4077/4885
US-20110105519-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II FLNB, FLNA, FGB CA12 3751/4885CA1 4727/4885CA2 4077/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 CA12 4871/4885CA1 4833/4885CA2 4798/4885
US-20150320739-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II FLNB, FLNA, FGB CA12 3751/4885CA1 4727/4885CA2 4077/4885
US-20040044080-A1 Treatment of dyspareunia with topically administered nitroglycerin formulations PDE12, PDE3A, PDE2A CA12 2742/4885CA1 3443/4885CA2 877/4885
US-20050245539-A1 Pharmaceutical compositions for the treatment of sexual disorders II FLNB, FLNA, FGB CA12 3751/4885CA1 4727/4885CA2 4077/4885
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PPARA, PPARG, PPARD CA12 4884/4885CA1 4876/4885CA2 4873/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.