SCHEMBL21960979

SCHEMBL21960979

COCCc1nn(CC(F)F)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MGLL Q99685 2/20 0.42
FAAH O00519 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDR P35968 1/20 0.41
POLB P06746 1/20 0.40
CASP3 P42574 4/20 0.39
TACR3 P29371 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ROCK2 O75116 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL21960976 0.79 NPC1 (0.45) NPC1RAB9AMGLLFAAHSMN1; SMN2
SCHEMBL21961388 0.75 F10 (0.41) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL16800423 0.72 NPC1 (0.54) NPC1RAB9AMGLLFAAHSMN1; SMN2
SCHEMBL21964587 0.71 HCAR2 (0.38)
SCHEMBL21960965 0.70 MAP3K14 (0.35) SMN1; SMN2POLB
SCHEMBL21964564 0.70 NPC1 (0.51) NPC1RAB9AMGLLFAAHSMN1; SMN2
SCHEMBL30206407 0.69 NPC1 (0.53) NPC1RAB9AMGLLFAAHSMN1; SMN2
SCHEMBL21960964 0.67 MAP3K14 (0.35)
SCHEMBL16797992 0.67 NPC1 (0.53) NPC1RAB9AMGLLFAAHSMN1; SMN2
SCHEMBL10874779 0.65 NPC1 (0.68) NPC1RAB9ASMN1; SMN2POLBHTT

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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 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 (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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE NPC1 1362/4885RAB9A 3698/4885MGLL 1498/4885

“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.