SCHEMBL4402773

SCHEMBL4402773

CC(=O)N(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.47
SRD5A1 P18405 5/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.44
TYR P14679 1/20 0.43
SRD5A2 P31213 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
SCHEMBL14341655 0.84 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKMT2AMAPTLMNA
SCHEMBL14438022 0.82 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPSR1MAPTLMNA
SCHEMBL11538588 0.82 RAB9A (0.50) SMN1; SMN2RAB9AMEN1KMT2ANPSR1
SCHEMBL27548961 0.82 NR1H4 (0.50) SMN1; SMN2RAB9AMEN1KMT2ANPSR1
SCHEMBL28250869 0.81 NR1H4 (0.47) SMN1; SMN2RAB9AMEN1KMT2ANPSR1
SCHEMBL12169727 0.81 LMNA (0.46) SMN1; SMN2RAB9AMEN1KMT2ANPSR1
SCHEMBL25339857 0.80 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANR1H4MAPTLMNA
SCHEMBL16172392 0.79 NR1H4 (0.44) SMN1; SMN2RAB9AMEN1KMT2ANPSR1
SCHEMBL4403426 0.79 NR1H4 (0.51) SMN1; SMN2RAB9AMEN1KMT2ANPSR1
SCHEMBL760449 0.79 NPSR1 (0.59) SMN1; SMN2RAB9AMEN1KMT2ANPSR1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351924-B2 Electroreductive cross coupling OHIO STATE INNOVATION FOUNDATION (US) 2025-07-08 US disclosed
US-20230250539-A1 ELECTROREDUCTIVE CROSS COUPLING OHIO STATE INNOVATION FOUNDATION 2023-08-10 US disclosed
WO-2023287793-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-01-19 WO disclosed
US-10202354-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2017-01-19 US disclosed
US-9458124-B2 Substituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2016-10-04 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20140309427-A1 Substituted Pyran Derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-16 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 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-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES SLC18A2, SLC6A4, SLC6A3 SMN1; SMN2 950/4885RAB9A 1166/4885MEN1 2037/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF SMN1; SMN2 4525/4885RAB9A 658/4885MEN1 1994/4885
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 SMN1; SMN2 4561/4885RAB9A 2187/4885MEN1 3367/4885
US-20140309427-A1 Substituted Pyran Derivatives SLC18A2, SLC6A4, SLC6A3 SMN1; SMN2 950/4885RAB9A 1166/4885MEN1 2037/4885
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 942/4885RAB9A 441/4885MEN1 2738/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SMN1; SMN2 3820/4885RAB9A 2487/4885MEN1 2476/4885
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B SMN1; SMN2 660/4885RAB9A 2849/4885MEN1 2924/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 SMN1; SMN2 4561/4885RAB9A 2187/4885MEN1 3367/4885
US-10202354-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B SMN1; SMN2 660/4885RAB9A 2849/4885MEN1 2924/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SMN1; SMN2 3820/4885RAB9A 2487/4885MEN1 2476/4885

“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.