SCHEMBL837484

SCHEMBL837484

CC(=O)c1ccc(N)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
PDE10A Q9Y233 1/20 0.50
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
CYP3A4 P08684 2/20 0.45
ESR2 Q92731 1/20 0.45
PTPN1 P18031 1/20 0.45
CASP1 P29466 3/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CRBN Q96SW2 1/20 0.42
CYP2C9 P11712 2/20 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
SCHEMBL18153000 0.85 SMN1; SMN2 (0.46) ALDH1A1MAPTPOLBTDP1NPC1
SCHEMBL7186665 0.84 ALDH1A1 (0.52) ALDH1A1PDE10AMAPTKDM4EGAA
Acetic Acid SCHEMBL28750958 0.83 ALDH1A1 (0.57) ALDH1A1PDE10AMAPTKDM4EGAA
SCHEMBL99201 0.83 ALDH1A1 (0.61) ALDH1A1PDE10AMAPTKDM4EGAA
SCHEMBL1095966 0.83 ALDH1A1 (0.50) ALDH1A1PDE10AMAPTKDM4EGAA
SCHEMBL2314690 0.83 ALDH1A1 (0.50) ALDH1A1PDE10AMAPTKDM4EGAA
SCHEMBL30311840 0.82 MAPT (0.48) ALDH1A1PDE10AMAPTKDM4EGAA
SCHEMBL26054237 0.82 MAPT (0.48) ALDH1A1PDE10AMAPTKDM4EGAA
SCHEMBL13977482 0.81 PDE10A (0.48) ALDH1A1PDE10AMAPTKDM4EGAA
Hydrochloric Acid SCHEMBL10592050 0.81 MAPT (0.59) ALDH1A1PDE10AMAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
EP-3180317-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2021-04-14 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
US-9868727-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
US-20170210732-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-27 US disclosed
US-20150038708-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 US disclosed
US-8846707-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of stat protein UNIVERISTY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-09-30 US disclosed
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-5374628-A Aryl and heteroaryl(phosphinylmethyl)phosphonate squalene synthetase inhibitors and method E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
US-5278153-A Hypocholesterolemic or hypolipemic E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed
WO-1990004961-A1 LIPOSOMES INCORPORATING AROMATIC POLYENE ANTIBIOTICS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-05-17 WO 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 (6 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 ALDH1A1 3215/4885PDE10A 1320/4885MAPT 1300/4885
US-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI ALDH1A1 3638/4885PDE10A 3224/4885MAPT 3748/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 ALDH1A1 3215/4885PDE10A 1320/4885MAPT 1300/4885
US-20150038708-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEIN STAT3, STAT1, STAT4 ALDH1A1 4285/4885PDE10A 2222/4885MAPT 3926/4885
US-20170210732-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI ALDH1A1 3635/4885PDE10A 3382/4885MAPT 3611/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI ALDH1A1 3638/4885PDE10A 3224/4885MAPT 3748/4885

“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.