SCHEMBL374631

SCHEMBL374631

Clc1ccc([C](c2ccccc2)c2ccccc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
SRD5A2 P31213 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MGLL Q99685 1/20 0.45
ERCC5 P28715 1/20 0.44

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
SCHEMBL8633789 0.91 CYP1A2 (0.52) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL5793042 0.88 RAB9A (0.47) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL3138767 0.81 CES2 (0.54) SMN1; SMN2TSHRRAB9ANPC1MAPT
SCHEMBL522683 0.80 SRD5A2 (0.74) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL28668332 0.80 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL9593190 0.80 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL29350361 0.80 SRD5A2 (0.74) SMN1; SMN2TSHRCASP1RAB9ANPC1
Benzoic Acid SCHEMBL8021112 0.79 TSHR (0.78) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL9749593 0.79 CES1 (0.62) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL33952 0.78 ALDH1A1 (0.56) SMN1; SMN2TSHRRAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3431490-B1 CHEMICAL COMPOUNDS FOR USE AS DIAGNOSTIC MARKERS OF INFLAMMATION AND NEOPLAMS, THE METHOD FOR SYNTHESIS OF THE CHEMICAL COMPOUNDS, DIAGNOSTIC KIT FOR USE IN DIAGNOSIS OF INFLAMMATORY PROCESSES AND EPITHELIAL NEOPLASMS AND IN VITRO DIAGNOSTIC METHOD OF INFLAMMATORY PROCESSES AND EPITHELIAL NEOPLASMS UNIV GDANSKI (PL) 2020-03-11 EP claimed
WO-2020017984-A1 CHEMICAL COMPOUNDS FOR USE AS DIAGNOSTIC MARKERS OF INFLAMMATION AND NEOPLASMS UNIWERSYTET GDANSKI (PL) 2020-01-23 WO claimed
EP-3431490-A1 CHEMICAL COMPOUNDS FOR USE AS DIAGNOSTIC MARKERS OF INFLAMMATION AND NEOPLAMS, THE METHOD FOR SYNTHESIS OF THE CHEMICAL COMPOUNDS, DIAGNOSTIC KIT FOR USE IN DIAGNOSIS OF INFLAMMATORY PROCESSES AND EPITHELIAL NEOPLASMS AND IN VITRO DIAGNOSTIC METHOD OF INFLAMMATORY PROCESSES AND EPITHELIAL NEOPLASMS Uniwersytet Gdanski (PL) 2019-01-23 EP claimed
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-07-18 US disclosed
US-20240199701-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-20 US disclosed
CN-118159549-A Immunomodulators 百时美施贵宝公司 2024-06-07 CN disclosed
WO-2024112809-A2 CELL-PENETRATING PEPTIDES, CONJUGATES THEREOF, AND METHODS OF THEIR USE PEPGEN INC. (US) 2024-05-30 WO disclosed
CN-118076623-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-05-24 CN disclosed
WO-2024102752-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF PARMEDICS, INC. (US) 2024-05-16 WO disclosed
US-11952379-B2 Small molecule modulators of PAR2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-04-09 US disclosed
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-04-02 US disclosed
US-6617309-B2 For therapy and prophylaxis of hepatitis C viral infection VERTEX PHARMACEUTICALS INCORPORATED 2003-09-09 US disclosed
EP-1242363-A2 CD45 INHIBITORS AstraZeneca AB (SE) 2002-09-25 EP disclosed
US-20020032175-A1 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED 2002-03-14 US disclosed
EP-0932617-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMA (US) 2002-01-16 EP disclosed
EP-1136498-A1 Inhibitors of serine proteases, particularly hepatitis c virus NS3 protease Vertex Pharmaceuticals Incorporated (US) 2001-09-26 EP disclosed
US-6265380-B1 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED 2001-07-24 US disclosed
WO-2001046125-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
EP-0932617-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE Vertex Pharmaceuticals Incorporated (US) 1999-08-04 EP disclosed
WO-1998017679-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-30 WO 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 (5 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-20240199701-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 SMN1; SMN2 4385/4885TSHR 1050/4885CASP1 1220/4885
US-11952379-B2 Small molecule modulators of PAR2 and uses thereof F2RL1, F2R, TBXA2R SMN1; SMN2 4378/4885TSHR 2256/4885CASP1 829/4885
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR SMN1; SMN2 4722/4885TSHR 3853/4885CASP1 3578/4885
US-20020032175-A1 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease HPN, PRSS1, PRSS3 SMN1; SMN2 3883/4885TSHR 4795/4885CASP1 359/4885
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, MTOR, FKBP14 SMN1; SMN2 4628/4885TSHR 4022/4885CASP1 3418/4885

“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.