SCHEMBL2174146

SCHEMBL2174146

NC(=O)c1ccc(F)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.60
KMT2A Q03164 1/20 0.60
CXCR5 P32302 1/20 0.46
DGAT1 O75907 1/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
HTT P42858 1/20 0.41
METAP2 P50579 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
GRM2 Q14416 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28639283 0.87 ATM (0.75) ATMKMT2AKDM4EALDH1A1GAA
SCHEMBL249578 0.81 NR4A1 (0.52) CXCR5KDM4EALDH1A1HPGDTSHR
SCHEMBL29392762 0.79 CNR1 (0.47) KMT2ACXCR5KDM4EALDH1A1GAA
SCHEMBL401068 0.79 CNR1 (0.47) KMT2ACXCR5KDM4EALDH1A1GAA
SCHEMBL15237521 0.79 CXCR5 (0.40) ATMKMT2ACXCR5KDM4EALDH1A1
SCHEMBL4031210 0.79 ALDH1A1 (0.57) ATMKMT2ACXCR5ALDH1A1MAPT
SCHEMBL5750127 0.78 ATM (0.64) ATMKMT2AKDM4EALDH1A1GAA
SCHEMBL4959193 0.78 CXCR5 (0.45) ATMKMT2ACXCR5ALDH1A1MAPT
SCHEMBL18797613 0.78 CXCR5 (0.49) CXCR5ALDH1A1HPGDTSHRHSD17B10
SCHEMBL7113717 0.77 CXCR5 (0.49) ATMKMT2ACXCR5ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026778-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR TIUMBIO CO., LTD. (KR) 2025-01-23 US disclosed
EP-4365181-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR TiumBio Co., Ltd. (KR) 2024-05-08 EP disclosed
CN-117836306-A Galactose glycoside derivatives as galectin-3 inhibitors 株式会社蒂奥姆生物 2024-04-05 CN disclosed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP disclosed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 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 (3 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 ATM 2583/4885KMT2A 1371/4885CXCR5 1393/4885
US-20250026778-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR LGALS3, LGALS1, LGALS3BP ATM 3348/4885KMT2A 4691/4885CXCR5 444/4885
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 ATM 1305/4885KMT2A 823/4885CXCR5 1020/4885

“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.