SCHEMBL16273602

SCHEMBL16273602

COc1cc(Br)c(C2SCCCS2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
HTR2A P28223 4/20 0.44
TSHR P16473 1/20 0.43
PRKDC P78527 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
TP53 P04637 1/20 0.36
ERN1 O75460 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11611417 0.85 CYP3A4 (0.47) HTR2CHTR2ATSHRCYP3A4MAPT
SCHEMBL6092803 0.75 TSHR (0.57) TSHRPOLBCYP3A4MAPT
SCHEMBL9778659 0.73 L3MBTL1 (0.47) HTR2CHTR2ATSHRL3MBTL1
SCHEMBL9778610 0.72 CA12 (0.46) TSHRMAPTNPSR1
SCHEMBL9778646 0.72 MEN1 (0.51) TSHRTP53CYP3A4MAPTNPSR1
SCHEMBL11609976 0.72 ACHE (0.46) TSHRPOLBL3MBTL1TP53CYP3A4
SCHEMBL30669513 0.71 TSHR (0.67) TSHRNPSR1
SCHEMBL8057984 0.71 TSHR (0.67) TSHRNPSR1
SCHEMBL9262929 0.69 TSHR (0.55) TSHRCYP3A4MAPT
SCHEMBL29654713 0.69 HTR2C (0.45) HTR2CHTR2APRKDCPOLBL3MBTL1

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-20140357584-A1 ARYL NAPHTHALIDE LIGNANS AS ANTI-HIV AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-12-04 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-20140357584-A1 ARYL NAPHTHALIDE LIGNANS AS ANTI-HIV AGENTS ALG8, GRAMD1A, LSS HTR2C 660/4885HTR2A 624/4885TSHR 4877/4885

“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.