SCHEMBL20965429

SCHEMBL20965429

O=C(C1C=CC=C1)N1CCN(c2ncc(Cl)cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 2/20 0.41
P2RY12 Q9H244 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 1/20 0.40
HPGD P15428 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL20964691 0.84 SMN1; SMN2 (0.65) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL27829814 0.83 PHGDH (0.51) PHGDHSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL14735155 0.81 PHGDH (0.50) PHGDHSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL18362064 0.80 PHGDH (0.52) PHGDHSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3075186 0.80 CNR2 (0.47) PHGDHSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21393062 0.78 KMT2A (0.54) PHGDHSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL20964676 0.77 PANK3 (0.52) CNR2
SCHEMBL20348529 0.77 PHGDH (0.49) PHGDHSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL2366192 0.76 MEN1 (0.55) PHGDHSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL31381249 0.73 NOTUM (0.52) SMN1; SMN2LMNAKMT2AMEN1MAPT

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 PHGDH 1177/4885SMN1; SMN2 263/4885LMNA 1413/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 PHGDH 2458/4885SMN1; SMN2 2477/4885LMNA 897/4885

“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.