SCHEMBL5429971

SCHEMBL5429971

CCNCCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
PGK1 P00558 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
Hydrochloric Acid SCHEMBL4911691 0.98 ALDH1A1 (0.50) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL5430419 0.88 HRH1 (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL7360165 0.86 LOXL2 (0.54) ALDH1A1LOXL2KDM4EGLASMN1; SMN2
SCHEMBL13102158 0.85 ALDH1A1 (0.50) ALDH1A1LMNAHTTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4421244 0.83 ALDH1A1 (0.49) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL2185893 0.80 SIGMAR1 (0.68) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL18935640 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL40732 0.79
SCHEMBL13351099 0.78 LOXL2 (0.46) ALDH1A1LOXL2KDM4EGLASMN1; SMN2
SCHEMBL20689752 0.78 SIGMAR1 (0.59) ALDH1A1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2022-06-28 US disclosed
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-11-14 US disclosed
WO-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
EP-1934238-B1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2017-06-28 EP disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 US disclosed
WO-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2008106226-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2008106224-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
EP-1272468-B1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2004-11-17 EP disclosed
US-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2004-03-25 US disclosed
US-6673790-B1 ANTAGONIST OF OXYTOCIN RECEPTORS USED IN COMBINATION WITH ANTAGONIST OF VASOPRESSIN V1A RECEPTORS FOR TREATMENT OF DYSMENORRHEA OR ENDOMETRIOSIS OR CONTROL OF PREMATURE LABOR AND FOR CONTROLLING PREPARATORY LABOR FOR CAESAREAN DELIVERY SANOFI-SYNTHELABO (FR) 2004-01-06 US disclosed
US-3980788-A XANTHENYL COMPOUNDS SMITHKLINE CORPORATION (US) 1976-09-14 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 (8 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-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them OXTR, AVPR2, AVPR1B ALDH1A1 4188/4885LMNA 3205/4885HTT 2019/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B ALDH1A1 4275/4885LMNA 3258/4885HTT 2086/4885
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 ALDH1A1 3948/4885LMNA 2494/4885HTT 4504/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP ALDH1A1 3532/4885LMNA 2995/4885HTT 1684/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 ALDH1A1 4038/4885LMNA 2367/4885HTT 3931/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 ALDH1A1 813/4885LMNA 3545/4885HTT 331/4885
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP ALDH1A1 3532/4885LMNA 2995/4885HTT 1684/4885
US-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC ALDH1A1 543/4885LMNA 1627/4885HTT 795/4885

“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.