SCHEMBL19793299

SCHEMBL19793299

O=C(O)c1nnc(CCc2ccc(F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
POLB P06746 1/20 0.44
DGAT1 O75907 1/20 0.43
ENPP2 Q13822 1/20 0.43
SRC P12931 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLS O94925 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL17967710 0.86 FFAR1 (0.44) FFAR1NPC1RAB9ACASP3SENP7
SCHEMBL4319595 0.85 ATM (0.57) NPC1RAB9ACASP3SENP7POLB
Hydrochloric Acid SCHEMBL21391937 0.85 FFAR1 (0.43) FFAR1NPC1RAB9ACASP3SENP7
SCHEMBL17967116 0.84 FFAR1 (0.52) FFAR1NPC1RAB9ACASP3SENP7
SCHEMBL19801239 0.82 FFAR1 (0.44) FFAR1NPC1RAB9ACASP3SENP7
SCHEMBL20901751 0.82 FFAR1 (0.44) FFAR1NPC1RAB9ACASP3SENP7
SCHEMBL8840334 0.77 CSNK2A2 (0.56) NPC1RAB9AHDAC1LMNASMN1; SMN2
SCHEMBL17967711 0.73 ATM (0.69) POLBLMNAALDH1A1GLSATM
Hydrochloric Acid SCHEMBL21391938 0.72 ATM (0.67) POLBLMNAALDH1A1GLSATM
SCHEMBL17967183 0.71 FFAR1 (0.48) FFAR1NPC1RAB9ACASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 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 (1 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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 FFAR1 4417/4885NPC1 4099/4885RAB9A 810/4885

“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.