SCHEMBL25949199

SCHEMBL25949199

COc1cccc(NC(=O)c2ccc(F)c(C=O)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.65
▸ RAB9A P51151 7/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NLRP3 Q96P20 1/20 0.60
▸ TRPV1 Q8NER1 1/20 0.58

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
SCHEMBL25949228 0.86 RXFP1 (0.67) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL4251405 0.86 RXFP1 (0.74) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL24070620 0.86 NPC1 (0.59) RAB9ANPC1ALDH1A1
SCHEMBL30211942 0.86 NPC1 (0.59) RAB9ANPC1ALDH1A1
SCHEMBL25949183 0.84 MEN1 (0.62) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL4258409 0.84 RXFP1 (0.70) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL3646230 0.82 RXFP1 (0.68) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL3643286 0.82 RAB9A (0.72) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL3643154 0.82 RXFP1 (0.68) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL10055020 0.81 NPC1 (0.94) RXFP1RAB9ANPC1ALDH1A1TP53

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-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 — — 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-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS DDR2, DDR1, DDRGK1 RXFP1 414/4885RAB9A 2278/4885NPC1 2973/4885

“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.

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