SCHEMBL3215264

SCHEMBL3215264

CN(C)Cc1ccc(-c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TSHR P16473 1/20 0.44
MCHR1 Q99705 2/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SRD5A2 P31213 2/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHUK O15111 1/20 0.41
INSR P06213 1/20 0.41

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
SCHEMBL3220302 0.99 TSHR (0.45) HRH3TAAR1HDAC3HDAC1HDAC2
SCHEMBL3211520 0.89 AOC3 (0.55) TAAR1HDAC3HDAC1HDAC2CHUK
SCHEMBL3205510 0.86 MKNK1 (0.41) TSHRSRD5A2KMT2AMEN1RXRA
SCHEMBL3217027 0.84 PRKAB2 (0.51) TSHRSRD5A2KMT2AMEN1RXRA
SCHEMBL3221818 0.84 AOC3 (0.50) TSHRKMT2AMEN1CHUKINSR
SCHEMBL3200142 0.83 SLC6A2 (0.51) TSHRSLC6A2SLC6A4SLC6A3SRD5A2
SCHEMBL3218450 0.82 PRKAB2 (0.52) TSHRSRD5A2KMT2AMEN1RXRA
SCHEMBL3210729 0.81 TSHR (0.47) HRH3TAAR1HDAC1TSHRMCHR1
SCHEMBL6254017 0.80 TSHR (0.61) TSHRSRD5A2KMT2AMEN1RXRA
SCHEMBL3222396 0.80 TSHR (0.49) TSHRSRD5A2RXRARXRBSMN1; SMN2

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 claimed
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

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 HRH3 4743/4885TAAR1 4739/4885HDAC3 990/4885

“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.