SCHEMBL20964600

SCHEMBL20964600

COc1ccccc1N1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
AR P10275 6/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
STAT3 P40763 1/20 0.48

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
SCHEMBL20964616 0.88 ALDH1A1 (0.73) TSHRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL20964609 0.85 ALDH1A1 (0.61) TSHRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL20965422 0.84 SMN1; SMN2 (0.60) TSHRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL20965335 0.83 L3MBTL1 (0.66) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL20964673 0.82 MAPT (0.58) TSHRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL20964632 0.82 SMN1; SMN2 (0.57) TSHRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL20964644 0.81 SMN1; SMN2 (0.71) TSHRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL20964660 0.81 SMN1; SMN2 (0.63) TSHRALDH1A1SMN1; SMN2LMNAAR
SCHEMBL20964706 0.81 SMN1; SMN2 (0.56) TSHRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL20964627 0.80 LMNA (0.62) TSHRALDH1A1SMN1; SMN2LMNAKMT2A

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 TSHR 3423/4885ALDH1A1 141/4885SMN1; SMN2 263/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 TSHR 2794/4885ALDH1A1 870/4885SMN1; SMN2 2477/4885

“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.