SCHEMBL16639748

SCHEMBL16639748

C=c1s/c(=C\c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1Cc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
KDM4E B2RXH2 5/20 0.43
APEX1 P27695 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 9/20 0.43
MEN1 O00255 8/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MC4R P32245 1/20 0.43
PPP1CA P62136 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MITF O75030 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39

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
SCHEMBL16687570 0.88 KDM4E (0.58) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL16639746 0.84 KMT2A (0.53) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL15374273 0.80 HIF1AN (0.56) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL16639743 0.79 DUSP3 (0.56) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL17789560 0.79 ENPP2 (0.60) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL17789559 0.75 ALDH1A1 (0.53) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL16639750 0.73 ENPP2 (0.63) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL23692386 0.72 EP300 (0.44) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL16639747 0.72 MEN1 (0.44) MAPTKDM4EAPEX1TDP1KMT2A
SCHEMBL14291851 0.71 KMT2A (0.50) MAPTKDM4EAPEX1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 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 (1 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-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B MAPT 4654/4885KDM4E 3550/4885APEX1 2678/4885

“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.