SCHEMBL24916495

SCHEMBL24916495

COc1cnc2cc(C)cc(Br)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.35
MTNR1B P49286 8/20 0.35
MTNR1A P48039 6/20 0.35
PDGFRB P09619 3/20 0.34
PDGFRA P16234 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
F2 P00734 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
SCHEMBL29923786 1.00 PSMB5 (0.35) PSMB5MTNR1BMTNR1APDGFRBPDGFRA
SCHEMBL29923631 0.77 CYP1A1 (0.36) MTNR1BMTNR1APDGFRBPDGFRAALDH1A1
SCHEMBL24916492 0.77 CYP1A1 (0.36) MTNR1BMTNR1APDGFRBPDGFRAALDH1A1
SCHEMBL24915594 0.77 MTNR1B (0.33) PSMB5MTNR1BMTNR1APDGFRBPDGFRA
SCHEMBL425260 0.76 MTNR1B (0.49) MTNR1BMTNR1APDGFRBPDGFRAALDH1A1
SCHEMBL29923616 0.76 MTNR1B (0.49) MTNR1BMTNR1APDGFRBPDGFRAALDH1A1
SCHEMBL31353505 0.75 PSMB5 (0.37) PSMB5PDGFRBPDGFRA
SCHEMBL29923483 0.74 KDM4E (0.41) KDM4EMAOBEGFR
SCHEMBL19776334 0.72 MAPT (0.39) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL24916133 0.72 PSMB5 (0.35) PSMB5PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262822-A1 WDR5 INHIBITORS AND MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-08-08 US disclosed
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
EP-4334305-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2024-03-13 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
WO-2022236101-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2022-11-10 WO disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 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 (2 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-20240262822-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PSMB5 271/4885MTNR1B 3776/4885MTNR1A 3696/4885
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PSMB5 400/4885MTNR1B 3677/4885MTNR1A 3776/4885

“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.