SCHEMBL178426

SCHEMBL178426

Cc1ccc(C(=O)NC2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
HPGD P15428 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00
USP2 O75604 1/20 0.68
KMT2A Q03164 2/20 0.67
EPHX1 P07099 1/20 0.61
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL3455803 1.00 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL12460021 0.98 RAB9A (0.96) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL178492 0.95 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL241843 0.91 RAB9A (0.83) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL8362540 0.91 RAB9A (0.83) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28928584 0.91 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL520877 0.91 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL126657 0.91 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
Hydrochloric Acid SCHEMBL5614019 0.89 RAB9A (0.80) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL123652 0.89 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120059357-A Polybutene composition and application thereof, polybutene pipe and preparation method thereof 日丰企业(佛山)有限公司 2025-05-30 CN disclosed
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND UNIV MICHIGAN REGENTS (US) 2023-11-09 US disclosed
CN-115974711-A Preparation method of aryl amide compound by using aromatic ester catalytically activated by boron salt 湖南农业大学 2023-04-18 CN disclosed
CN-110818576-B Secondary amine derivative synthesized by rare earth catalysis and preparation method thereof 温州大学 2023-02-24 CN disclosed
EP-3957633-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-02-23 EP disclosed
CN-110818576-A Secondary amine derivative synthesized by rare earth catalysis and preparation method thereof 温州大学 2020-02-21 CN disclosed
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 EP disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
EP-1757582-A1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-02-28 EP disclosed
US-3988364-A ANTITUSSIVE AGENTS TOYO JOZO KABUSHIKI KAISHA (JA) 1976-10-26 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 (10 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 NPC1 1892/4885RAB9A 3030/4885SMN1; SMN2 4581/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885SMN1; SMN2 1522/4885
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND AR, GPER1, CRBN NPC1 1026/4885RAB9A 4861/4885SMN1; SMN2 2044/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 NPC1 3307/4885RAB9A 1441/4885SMN1; SMN2 1225/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC NPC1 4403/4885RAB9A 165/4885SMN1; SMN2 1715/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 NPC1 524/4885RAB9A 1633/4885SMN1; SMN2 4251/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885SMN1; SMN2 1522/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM NPC1 2077/4885RAB9A 3717/4885SMN1; SMN2 4601/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885SMN1; SMN2 1522/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC NPC1 4581/4885RAB9A 173/4885SMN1; SMN2 1752/4885

“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.