SCHEMBL20964677

SCHEMBL20964677

Cn1ncc2c(N3CCN(C(=O)c4ccccc4SCc4ccsc4)CC3)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
NSD2 O96028 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 9/20 0.45
TP53 P04637 4/20 0.45
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL20965354 0.74 KMT2A (0.54) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL20964633 0.73 LMNA (0.57) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL20965056 0.72 MEN1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAPKM
SCHEMBL20964592 0.71 KDM4E (0.50) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL20964630 0.69 KMT2A (0.49) ALDH1A1SMN1; SMN2HTTLMNAPKM
SCHEMBL20964653 0.69 NR2F2 (0.48) ALDH1A1SMN1; SMN2HTTLMNAPKM
SCHEMBL19744911 0.68 ITGA4 (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL19744976 0.68 KMT2A (0.54) ALDH1A1SMN1; SMN2HTTLMNATP53
SCHEMBL7760010 0.67 KMT2A (0.76) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL19744758 0.67 ITGA4 (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPT

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 141/4885SMN1; SMN2 263/4885HTT 2154/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 ALDH1A1 870/4885SMN1; SMN2 2477/4885HTT 2335/4885

“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.