SCHEMBL4546338

SCHEMBL4546338

CNc1ccc2c(c1)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.55
NPC1 O15118 12/20 0.51
RAB9A P51151 12/20 0.51
POLB P06746 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.45

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
SCHEMBL30558478 1.00 RAPGEF4 (0.55) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL1025544 0.98 RAPGEF4 (0.53) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
SCHEMBL12385887 0.95 RAPGEF4 (0.50) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5958060 0.93 RAPGEF4 (0.49) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
SCHEMBL21120582 0.93 RAPGEF4 (0.49) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
SCHEMBL30476640 0.91 RAPGEF4 (0.44) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13990429 0.91 RAPGEF4 (0.44) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
SCHEMBL23987108 0.83 RAPGEF4 (0.51) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
SCHEMBL379238 0.81 RAPGEF4 (0.63) RAPGEF4NPC1RAB9APOLBSMN1; SMN2
SCHEMBL2571279 0.81 HTR2C (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
WO-2024123966-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
US-11912682-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
WO-2023215257-A2 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2023-11-09 WO disclosed
US-20230348418-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2023-11-02 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS ENYO PHARMA (FR) 2023-10-12 US disclosed
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
EP-0878196-B1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2003-09-03 EP disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed
US-6133258-A PYRIDOTHIAZINE DERIVATIVE; FOR TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS, PAIN, GLAUCOMA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
CN-1222909-A Pyrazinone thrombin inhibitors MERCK & CO INC (US) 1999-07-14 CN disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 EP disclosed
EP-0031910-B1 ANILINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESSES FOR THEIR PRODUCTION MERCK PATENT GmbH (DE) 1983-04-13 EP disclosed
EP-0031910-A1 Aniline derivatives, pharmaceutical preparations containing them and processes for their production MERCK PATENT GmbH (DE) 1981-07-15 EP 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 (7 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-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 RAPGEF4 1042/4885NPC1 1565/4885RAB9A 4579/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 RAPGEF4 2420/4885NPC1 330/4885RAB9A 3771/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 RAPGEF4 4495/4885NPC1 1831/4885RAB9A 2314/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 RAPGEF4 318/4885NPC1 130/4885RAB9A 108/4885
US-20230348418-A1 ISOINDOLINONE COMPOUNDS CYP4F2, AOC2, AOC3 RAPGEF4 3229/4885NPC1 269/4885RAB9A 3124/4885
US-11912682-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 RAPGEF4 3261/4885NPC1 285/4885RAB9A 3175/4885
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS TST, TPMT, MMP1 RAPGEF4 3042/4885NPC1 1684/4885RAB9A 2885/4885

“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.