SCHEMBL21983540

SCHEMBL21983540

CCCC(C)c1ccc(-c2nn[nH]n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ADH5 P11766 1/20 0.55
CYP19A1 P11511 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 2/20 0.53
XDH P47989 8/20 0.51
RPA1 P27694 1/20 0.49
ATM Q13315 1/20 0.49
OPRD1 P41143 1/20 0.43

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
SCHEMBL21983385 0.87 TP53 (0.70) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL1346207 0.80 TP53 (1.00) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL13934990 0.77 TP53 (0.74) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL20539688 0.77 TP53 (0.74) TP53NPC1RAB9ANPSR1ADH5
Hydrochloric Acid SCHEMBL4449070 0.76 TP53 (0.72) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL9984638 0.75 ADH5 (0.95) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL17204982 0.74 ADH5 (0.76) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL9746668 0.73 RIPK1 (0.43)
SCHEMBL1344194 0.73 TP53 (1.00) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL9278631 0.73 CYP19A1 (0.51) TP53NPC1RAB9ANPSR1ADH5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299484-B2 Inhibiting fatty acid synthase (FASN) FORMA THERAPEUTICS, INC. (US) 2022-04-12 US disclosed
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2021-01-28 US disclosed
EP-2942346-B1 PYRIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC (US) 2020-05-06 EP 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-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 TP53 3284/4885NPC1 287/4885RAB9A 2980/4885
US-11299484-B2 Inhibiting fatty acid synthase (FASN) FASN, SCD, FADS1 TP53 3284/4885NPC1 287/4885RAB9A 2980/4885

“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.