SCHEMBL20964601

SCHEMBL20964601

COc1cccc(N2CCN(C(=O)c3ccccc3SCc3c(C)noc3C)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
ALDH1A1 P00352 2/20 0.80
TSHR P16473 1/20 0.80
NPC1 O15118 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
THRB P10828 1/20 0.47
SCD5 Q86SK9 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 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
SCHEMBL20964658 0.91 LMNA (0.82) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL20964645 0.89 LMNA (0.82) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL20964680 0.89 LMNA (0.82) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL19745442 0.89 LMNA (1.00) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL20965422 0.87 SMN1; SMN2 (0.60) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL30428560 0.86 TSHR (0.77) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL20964539 0.86 TSHR (0.77) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL25057031 0.85 LMNA (0.76) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL25057030 0.84 LMNA (0.73) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL20964616 0.84 ALDH1A1 (0.73) LMNASMN1; SMN2ALDH1A1TSHRL3MBTL1

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 LMNA 1413/4885SMN1; SMN2 263/4885ALDH1A1 141/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 LMNA 897/4885SMN1; SMN2 2477/4885ALDH1A1 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.