SCHEMBL20964616

SCHEMBL20964616

COc1ccccc1N1CCN(C(=O)c2ccccc2SCc2c(C)noc2C)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
TSHR P16473 6/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
LMNA P02545 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.63
ATM Q13315 1/20 0.61
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.54
AR P10275 2/20 0.52
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL20964644 0.91 SMN1; SMN2 (0.71) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL20964719 0.88 SMN1; SMN2 (0.77) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL20964944 0.88 TSHR (0.77) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL20964600 0.88 TSHR (0.56) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL20964733 0.86 SMN1; SMN2 (0.75) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL20964658 0.85 LMNA (0.82) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL19745442 0.85 LMNA (1.00) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL20965335 0.84 L3MBTL1 (0.66) ALDH1A1TSHRSMN1; SMN2L3MBTL1KMT2A
SCHEMBL20964601 0.84 LMNA (0.80) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL20965436 0.84 L3MBTL1 (0.63) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1

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