SCHEMBL1755693

SCHEMBL1755693

CCc1ccc2cc(CC)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CYP2A6 P11509 5/20 0.45
CYP1A2 P05177 2/20 0.45
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ADRB2 P07550 1/20 0.38
TRPA1 O75762 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL18067922 0.87 CNR1 (0.39) SMN1; SMN2RAB9ANPC1CYP2A6CYP1A2
SCHEMBL2756703 0.86 CYP2A6 (0.46) SMN1; SMN2RAB9ANPC1CYP2A6CYP1A2
SCHEMBL15896882 0.84 HDAC3 (0.46) SMN1; SMN2RAB9ANPC1CYP2A6CYP1A2
SCHEMBL10222545 0.84 CYP2A6 (0.45) SMN1; SMN2RAB9ANPC1CYP2A6CYP1A2
SCHEMBL18067915 0.84 SKP2 (0.41) RAB9ANPC1HPGDMAPK1
SCHEMBL8189102 0.80 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1CYP2A6CYP1A2
SCHEMBL19756704 0.78 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1CYP2A6CYP1A2
SCHEMBL17232437 0.78 CYP2A6 (0.37) SMN1; SMN2RAB9ANPC1CYP2A6ADRB2
SCHEMBL5239964 0.78 ESR1 (0.53) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL9980132 0.78 MAPK1 (0.39) RAB9ANPC1CYP2A6CYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
US-9896443-B2 Perforin inhibiting benzenesulfonamide compounds, preparation and uses thereof PETER MACCALLUM CANCER INSTITUTE (AU) 2018-02-20 US disclosed
US-20150218150-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2015-08-06 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 SMN1; SMN2 3407/4885RAB9A 1024/4885NPC1 4516/4885
US-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 SMN1; SMN2 3366/4885RAB9A 1213/4885NPC1 2815/4885
US-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 SMN1; SMN2 651/4885RAB9A 2680/4885NPC1 4164/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SMN1; SMN2 1208/4885RAB9A 2799/4885NPC1 1400/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885RAB9A 1694/4885NPC1 516/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885RAB9A 1694/4885NPC1 516/4885
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS ALK, CBR3, CBR1 SMN1; SMN2 1126/4885RAB9A 3922/4885NPC1 2023/4885
US-20150218150-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, BAK1 SMN1; SMN2 3312/4885RAB9A 1973/4885NPC1 257/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SMN1; SMN2 1208/4885RAB9A 2799/4885NPC1 1400/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885RAB9A 1694/4885NPC1 516/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A SMN1; SMN2 2923/4885RAB9A 1035/4885NPC1 4078/4885

“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.