SCHEMBL91331

SCHEMBL91331

CCc1ccc2cnoc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
NPC1 O15118 9/20 0.36
RAB9A P51151 9/20 0.36
SMN1; SMN2 Q16637 9/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPT P10636 7/20 0.36
TP53 P04637 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TRPA1 O75762 1/20 0.36
ELANE P08246 1/20 0.36
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL23987189 0.90 CYP1A2 (0.35) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL8227728 0.85 CNR1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8179979 0.85 CYP1A2 (0.44) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL31125665 0.81 CA12 (0.43) HSD17B10
SCHEMBL28590491 0.81 CA12 (0.43) HSD17B10
SCHEMBL13547932 0.80 ESR1 (0.37) ALDH1A1KDM4EHPGD
SCHEMBL8253214 0.80 HTR1B (0.40) RAB9A
SCHEMBL23978603 0.80 PLK1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL24439367 0.79 NPC1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL22965748 0.75 HTR1B (0.37) NPC1RAB9AALDH1A1MAPTTP53

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
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
US-11420973-B2 Amide substituted indole compounds useful as TLR inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-23 US disclosed
US-20210070751-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-03-11 US disclosed
US-20200331920-A1 AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS PROTIX B.V. (NL) 2020-10-22 US disclosed
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
WO-2008063669-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2008063670-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (13 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 CYP1A2 3491/4885CYP2A6 2750/4885NPC1 3130/4885
US-11420973-B2 Amide substituted indole compounds useful as TLR inhibitors TLR9, TLR1, TLR7 CYP1A2 3365/4885CYP2A6 3376/4885NPC1 3480/4885
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE CHRNA2, ACACA, CHAT CYP1A2 234/4885CYP2A6 594/4885NPC1 139/4885
US-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B CYP1A2 2538/4885CYP2A6 2951/4885NPC1 1175/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3713/4885CYP2A6 2395/4885NPC1 424/4885
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 CYP1A2 4622/4885CYP2A6 4269/4885NPC1 1121/4885
US-20200331920-A1 AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS TLR9, TLR1, TLR7 CYP1A2 3426/4885CYP2A6 3480/4885NPC1 3604/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B CYP1A2 2538/4885CYP2A6 2951/4885NPC1 1175/4885
US-20210070751-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS TLR7, TLR8, TLR1 CYP1A2 1157/4885CYP2A6 1404/4885NPC1 3064/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 CYP1A2 1157/4885CYP2A6 1404/4885NPC1 3064/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 CYP1A2 352/4885CYP2A6 468/4885NPC1 2317/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 CYP1A2 212/4885CYP2A6 550/4885NPC1 1618/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP1A2 763/4885CYP2A6 615/4885NPC1 2374/4885

“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.