SCHEMBL3203802

SCHEMBL3203802

O=C(O)c1ccc(Cl)c(-c2ccc(Br)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SRD5A2 P31213 3/20 0.47
SRD5A1 P18405 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
KMO O15229 1/20 0.43
DHODH Q02127 1/20 0.43
TTR P02766 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 1/20 0.42
ADH5 P11766 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL6254017 0.89 TSHR (0.61) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3220340 0.84 TSHR (0.55) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3207912 0.84 TSHR (0.55) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3205630 0.84 TSHR (0.55) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3200062 0.84 TSHR (0.59) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3199834 0.83 TSHR (0.53) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL14881351 0.82 NPC1 (0.50) TSHRSRD5A2SRD5A1ALDH1A1MAPT
SCHEMBL3222396 0.82 TSHR (0.49) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3218450 0.81 PRKAB2 (0.52) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL2554145 0.80 ALDH1A1 (0.56) TSHRSRD5A2ALDH1A1MAPTRXRA

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
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B TSHR 4456/4885SRD5A2 1833/4885SRD5A1 1510/4885

“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.