SCHEMBL20799418

SCHEMBL20799418

COC(=O)C(F)(F)c1nc2cc(Cl)ccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACSS2 Q9NR19 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.38
RPS6KA2 Q15349 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TBXA2R P21731 1/20 0.37
PHGDH O43175 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL16595231 0.86 LMNA (0.45) AGPAT2NPC1RAB9AACSS2KDM4E
SCHEMBL16595230 0.85 KDM4E (0.42) AGPAT2NPC1RAB9AACSS2KDM4E
SCHEMBL17378554 0.79 KDM4E (0.45) AGPAT2NPC1RAB9AACSS2KDM4E
SCHEMBL20799414 0.76 RXFP1 (0.47) KMT2ARXFP1PHGDH
SCHEMBL14504050 0.74 KDM4E (0.46) AGPAT2NPC1RAB9AACSS2KDM4E
SCHEMBL24045477 0.72 ACSS2 (0.43) AGPAT2NPC1RAB9AACSS2KDM4E
SCHEMBL10238325 0.71 KDM4E (0.52) NPC1RAB9AACSS2KDM4EALDH1A1
SCHEMBL28287004 0.71 AGPAT2 (0.49) AGPAT2NPC1RAB9AKDM4EALDH1A1
SCHEMBL24662485 0.69 KDM4E (0.55) AGPAT2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2362098 0.68 KDM4E (0.55) NPC1RAB9AACSS2KDM4EALDH1A1

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-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 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-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 AGPAT2 199/4885NPC1 74/4885RAB9A 1370/4885

“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.