SCHEMBL10199417

SCHEMBL10199417

CC(C)c1ccc2ncc(C(C)C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SCN4A P35499 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSMB5 P28074 2/20 0.41
TYR P14679 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
LMNA P02545 1/20 0.38
PDE10A Q9Y233 1/20 0.36
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP1A2 P05177 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
SCHEMBL10262511 0.86 ALDH1A1 (0.47) PSMB5ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10262257 0.86 CYP1A2 (0.53) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL11322091 0.86 OGA (0.40) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL19514112 0.85 NPC1 (0.40) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL12938113 0.85 UGT2B7 (0.39) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL7727165 0.85 NPC1 (0.47) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL15686689 0.85 PDGFRB (0.40) KDM4ECYP1A2MET
SCHEMBL20009337 0.85 HRH4 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL19514095 0.85 NPC1 (0.40) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL19514121 0.82 ALDH1A1 (0.51) ALDH1A1PTGS1CYP1A2F2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11738013-B2 Methods for treating hepatitis B virus infections using NS5A, NS5B or NS3 inhibitors GILEAD SCIENCES, INC. (US) 2023-08-29 US disclosed
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
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
WO-2021160132-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2021-08-19 WO disclosed
WO-2020198435-A1 SMALL MOLECULE DEGRADERS OF STAT3 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-01 WO disclosed
US-10611765-B2 Pyrrolopyrimidine derivatives as Mps1/TTK kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2020-04-07 US disclosed
US-20190106422-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MPS1/TTK KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2019-04-11 US disclosed
US-20180155341-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-06-07 US disclosed
US-20180155341-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-06-07 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2014-01-30 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS NPC1 80/4885RAB9A 2218/4885SCN4A 3222/4885
US-20190106422-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MPS1/TTK KINASE INHIBITORS TTBK1, TTK, TTBK2 NPC1 903/4885RAB9A 2100/4885SCN4A 3431/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 NPC1 299/4885RAB9A 509/4885SCN4A 3421/4885
US-11738013-B2 Methods for treating hepatitis B virus infections using NS5A, NS5B or NS3 inhibitors HAVCR2, EIF2AK2, HSP90B1 NPC1 151/4885RAB9A 1003/4885SCN4A 2793/4885
US-10611765-B2 Pyrrolopyrimidine derivatives as Mps1/TTK kinase inhibitors TTBK1, TTK, TTBK2 NPC1 903/4885RAB9A 2100/4885SCN4A 3431/4885
US-20180155341-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 NPC1 1147/4885RAB9A 3094/4885SCN4A 4715/4885
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C NPC1 952/4885RAB9A 3054/4885SCN4A 4739/4885
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 NPC1 84/4885RAB9A 2195/4885SCN4A 3140/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC NPC1 8/4885RAB9A 1069/4885SCN4A 3981/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 NPC1 1541/4885RAB9A 2160/4885SCN4A 3338/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A NPC1 4078/4885RAB9A 1035/4885SCN4A 2913/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 NPC1 20/4885RAB9A 1219/4885SCN4A 4195/4885
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 NPC1 84/4885RAB9A 2195/4885SCN4A 3140/4885

“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.