SCHEMBL20964580

SCHEMBL20964580

CC(C)CC(=O)Nc1ccccc1F

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.73
LMNA P02545 3/20 0.62
GAA P10253 3/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL31136155 0.87 HPGD (0.57) HPGDLMNAGAAKMT2AMEN1
SCHEMBL14230555 0.84 MAPT (0.58) HPGDLMNAGAAPOLBSMN1; SMN2
SCHEMBL11759644 0.83 HDAC3 (0.60) HPGDLMNAGAAKMT2AMEN1
SCHEMBL2010247 0.81 SMN1; SMN2 (0.69) HPGDGAAKMT2AMEN1POLB
SCHEMBL4960066 0.81 HPGD (0.62) HPGDLMNAGAAPOLBSMN1; SMN2
SCHEMBL27713876 0.81 POLB (0.59) HPGDLMNAGAAKMT2AMEN1
SCHEMBL30259912 0.80 NPSR1 (0.71) LMNAGAAPOLBSMN1; SMN2MAPT
SCHEMBL1063418 0.80 NPSR1 (0.71) LMNAGAAPOLBSMN1; SMN2MAPT
SCHEMBL10172305 0.80 SMN1; SMN2 (0.55) HPGDLMNAGAAKMT2AMEN1
SCHEMBL24485241 0.79 POLB (0.57) HPGDLMNAGAAKMT2AMEN1

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 HPGD 314/4885LMNA 1413/4885GAA 57/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 HPGD 1458/4885LMNA 897/4885GAA 288/4885

“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.