SCHEMBL19214633

SCHEMBL19214633

COc1cc(C(=O)c2csc(Cc3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 1/20 0.54
ECE1 P42892 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HDAC1 Q13547 12/20 0.52
HDAC8 Q9BY41 12/20 0.52
HDAC6 Q9UBN7 12/20 0.52
EGFR P00533 1/20 0.52
NPC1 O15118 1/20 0.51
HDAC3 O15379 11/20 0.51
HDAC7 Q8WUI4 11/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL28791746 0.91 HDAC3 (0.52) MAPTALDH1A1LMNAECE1SMN1; SMN2
SCHEMBL19214634 0.90 EGFR (0.51) MAPTLMNAHDAC1HDAC8HDAC6
SCHEMBL19214635 0.89 MAPT (0.55) MAPTLMNARAB9ASMN1; SMN2HDAC1
SCHEMBL20850974 0.82 HDAC3 (0.67) HDAC1HDAC8HDAC6EGFRHDAC3
SCHEMBL723752 0.82 HDAC3 (0.67) HDAC1HDAC8HDAC6EGFRHDAC3
SCHEMBL1683730 0.77 EGFR (0.60) HDAC1HDAC8HDAC6EGFRHDAC3
SCHEMBL721918 0.77 HPGDS (0.54) HDAC1HDAC8HDAC6HDAC3HDAC7
SCHEMBL786801 0.77 EGFR (0.49) HDAC1HDAC8HDAC6EGFRHDAC3
SCHEMBL786549 0.76 HDAC3 (0.63) HDAC1HDAC8HDAC6EGFRHDAC3
Hydrochloric Acid SCHEMBL771834 0.76 HPGDS (0.53) HDAC1HDAC8HDAC6HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 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-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 MAPT 2614/4885ALDH1A1 209/4885LMNA 3427/4885

“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.