SCHEMBL20964626

SCHEMBL20964626

O=C(c1ccccc1SCc1cscn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.57
SMN1; SMN2 Q16637 8/20 0.57
KDM4E B2RXH2 5/20 0.57
HTT P42858 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 6/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NAMPT P43490 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL20965402 0.86 NAMPT (0.43) LMNASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL20964633 0.86 LMNA (0.57) LMNASMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL20964689 0.85 ALDH1A1 (0.53) LMNASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL19744712 0.84 MEN1 (0.56) LMNASMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL20964540 0.82 SLC6A7 (0.48) LMNASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL20965398 0.80 LMNA (0.57) LMNASMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL20965341 0.80 LMNA (0.60) LMNASMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL20965404 0.79 POLB (0.46) LMNASMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL20965401 0.79 LMNA (0.68) LMNASMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL20965423 0.79 LMNA (0.57) LMNASMN1; SMN2KDM4EHTTL3MBTL1

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 263/4885KDM4E 4616/4885
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 2477/4885KDM4E 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.