SCHEMBL19214635

SCHEMBL19214635

COc1cc(C(=O)c2csc(Cc3ccc(F)cc3)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EGFR P00533 1/20 0.50
HDAC3 O15379 9/20 0.49
HDAC1 Q13547 9/20 0.49
HDAC7 Q8WUI4 9/20 0.49
HDAC8 Q9BY41 9/20 0.49
HDAC6 Q9UBN7 9/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47
TUBB4B P68371 3/20 0.47
TUBB3 Q13509 3/20 0.47

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
SCHEMBL19214634 0.90 EGFR (0.51) MAPTLMNAEGFRHDAC3HDAC1
SCHEMBL28791746 0.89 HDAC3 (0.52) MAPTLMNASMN1; SMN2EGFRHDAC3
SCHEMBL19214633 0.89 MAPT (0.54) MAPTLMNASMN1; SMN2EGFRHDAC3
SCHEMBL1683696 0.83 HDAC3 (0.67) MAPTEGFRHDAC3HDAC1HDAC7
SCHEMBL786841 0.78 EGFR (0.48) MAPTEGFRHDAC3HDAC1HDAC7
SCHEMBL721855 0.78 HDAC3 (0.54) EGFRHDAC3HDAC1HDAC7HDAC8
Hydrochloric Acid SCHEMBL721844 0.77 HDAC3 (0.53) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683830 0.75 HDAC3 (0.67) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL18081569 0.75 HDAC3 (0.66) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL722723 0.74 HDAC3 (0.66) EGFRHDAC3HDAC1HDAC7HDAC8

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 2614/4885LMNA 3427/4885SMN1; SMN2 3816/4885

“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.