SCHEMBL20964620

SCHEMBL20964620

Cc1cc(CSc2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)on1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.45
MAPK1 P28482 2/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PANK3 Q9H999 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 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
SCHEMBL20965289 0.89 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20964705 0.87 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20964548 0.85 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20965374 0.85 MAPT (0.52) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20964545 0.85 LMNA (0.59) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20964637 0.81 LMNA (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20964553 0.81 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20964655 0.81 LMNA (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20964636 0.79 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19746371 0.78 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 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 (2 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 KMT2A 4728/4885MEN1 179/4885ALDH1A1 141/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 KMT2A 3241/4885MEN1 2387/4885ALDH1A1 870/4885

“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.