SCHEMBL16452865

SCHEMBL16452865

COc1cc(C=O)cc2c1c(-c1ccc(F)cc1)cn2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TUBB4A P04350 4/20 0.37
TUBB P07437 4/20 0.37
TUBA3C P0DPH7 4/20 0.37
TUBA1B P68363 4/20 0.37
TUBA4A P68366 4/20 0.37
TUBB4B P68371 4/20 0.37
TUBB3 Q13509 4/20 0.37
TUBB2A Q13885 4/20 0.37
TUBB8 Q3ZCM7 4/20 0.37
TUBA3E Q6PEY2 4/20 0.37
TUBA1A Q71U36 4/20 0.37
TUBA1C Q9BQE3 4/20 0.37
TUBB6 Q9BUF5 4/20 0.37
TUBB2B Q9BVA1 4/20 0.37
TUBB1 Q9H4B7 4/20 0.37
BRD4 O60885 2/20 0.37

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
SCHEMBL15297324 0.87 TTR (0.42) ALDH1A1KDM4ETSHRTUBB4ATUBB
SCHEMBL16450058 0.82 GSK3B (0.42) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL15297493 0.79 KMT2A (0.38) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL15958962 0.75 IDO1 (0.53) ALDH1A1KDM4EGSK3BIDO1TDO2
SCHEMBL3924578 0.71 ALDH1A1 (0.56) ALDH1A1TSHRNFE2L2TUBB4ATUBB
SCHEMBL2002821 0.68 ERN1 (0.59) ALDH1A1TSHRNFE2L2TUBB4ATUBB
SCHEMBL31227831 0.68 DRD1 (0.49) ALDH1A1TSHRNFE2L2TUBB4ATUBB
SCHEMBL16450063 0.68 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTUBB4ATUBB
SCHEMBL19417507 0.68
SCHEMBL17535738 0.66 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRNFE2L2TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831063-B1 SCHWEINFURTHIN ANALOGUES UNIV IOWA RES FOUND (US) 2017-10-04 EP disclosed
US-9428493-B2 Schweinfurthin analogues UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-30 US disclosed
US-20150045404-A1 SCHWEINFURTHIN ANALOGUES UNIVERSITY OF IOWA RESEARCH FOUNDATION 2015-02-12 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-20150045404-A1 SCHWEINFURTHIN ANALOGUES HRH4, HRH1, SUCNR1 ALDH1A1 496/4885KDM4E 2671/4885TSHR 57/4885

“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.