SCHEMBL10299097

SCHEMBL10299097

COc1ccc(Cc2cnc(NC(=O)CCc3cccnc3)s2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.49
▸ SCD O00767 6/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ SIRT2 Q8IXJ6 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
SCHEMBL10008023 0.93 KMT2A (0.63) KMT2AALDH1A1SCDNPC1RAB9A
SCHEMBL10299111 0.89 ALDH1A1 (0.56) KMT2AALDH1A1SCDNPC1RAB9A
SCHEMBL10299454 0.89 KMT2A (0.53) KMT2AALDH1A1SCDNPC1RAB9A
SCHEMBL10299101 0.88 KMT2A (0.60) KMT2AALDH1A1SCDNPC1RAB9A
SCHEMBL10299098 0.88 KMT2A (0.60) KMT2AALDH1A1SCDNPC1RAB9A
SCHEMBL10008539 0.87 ALDH1A1 (0.62) KMT2AALDH1A1SCDNPC1KDM4E
SCHEMBL10299106 0.87 NPC1 (0.44) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL10299094 0.86 KMT2A (0.58) KMT2AALDH1A1SCDNPC1RAB9A
SCHEMBL10009445 0.86 ABL1 (0.57) KMT2AALDH1A1SCDNPC1RAB9A
SCHEMBL10009039 0.84 KMT2A (0.51) KMT2AALDH1A1SCDNPC1RAB9A

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-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — 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-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME TUBB1, TUBA1C, TUBB KMT2A 1778/4885ALDH1A1 2950/4885SCD 4391/4885

“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.

Send feedback