SCHEMBL20964635

SCHEMBL20964635

Cc1cc(CSc2ncccc2C(=O)N2CCN(c3ccccn3)CC2)no1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
TSHR P16473 3/20 0.63
KDM4E B2RXH2 7/20 0.57
HSD17B10 Q99714 5/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL20965325 0.90 MAPT (0.54) ALDH1A1TSHRKDM4EMAPTMEN1
SCHEMBL20965301 0.89 PKM (0.53) ALDH1A1TSHRKDM4EMAPTMEN1
SCHEMBL20964566 0.88 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL20964663 0.87 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL20964624 0.87 GAA (0.47) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL20965431 0.87 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL20964674 0.85 SMN1; SMN2 (0.51) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL20965430 0.84 MAPT (0.51) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL20964538 0.84 SMN1; SMN2 (0.51) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL20964609 0.84 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10MAPT

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 ALDH1A1 141/4885TSHR 3423/4885KDM4E 4616/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 ALDH1A1 870/4885TSHR 2794/4885KDM4E 2648/4885

“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.