SCHEMBL20964660

SCHEMBL20964660

Cc1cccc(N2CCN(C(=O)c3cccnc3SCc3c(C)noc3C)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
LMNA P02545 4/20 0.63
TSHR P16473 3/20 0.63
ALDH1A1 P00352 2/20 0.63
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 5/20 0.50
HTT P42858 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
AR P10275 7/20 0.49
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
STAT3 P40763 1/20 0.45
KDM4E B2RXH2 2/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL20964627 0.92 LMNA (0.62) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL19744985 0.92 SMN1; SMN2 (0.62) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL20965422 0.91 SMN1; SMN2 (0.60) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL20964704 0.89 SMN1; SMN2 (0.59) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL20964667 0.89 NPC1 (0.68) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL20964674 0.86 SMN1; SMN2 (0.51) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL20964609 0.85 ALDH1A1 (0.61) SMN1; SMN2LMNATSHRALDH1A1MAPT
SCHEMBL20964561 0.84 MAPT (0.66) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL20964632 0.83 SMN1; SMN2 (0.57) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL20964554 0.83 SMN1; SMN2 (0.54) SMN1; SMN2LMNATSHRALDH1A1NPC1

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 SMN1; SMN2 263/4885LMNA 1413/4885TSHR 3423/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 SMN1; SMN2 2477/4885LMNA 897/4885TSHR 2794/4885

“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.