SCHEMBL4250840

SCHEMBL4250840

CCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TAAR1 Q96RJ0 1/20 0.52
NLRP3 Q96P20 1/20 0.52
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL4249452 0.95 MAPT (0.56) RAB9ANPC1RXFP1MAPTLMNA
SCHEMBL4254188 0.92 RAB9A (0.56) RAB9ANPC1RXFP1MAPTLMNA
SCHEMBL4247305 0.92 RAB9A (0.58) RAB9ANPC1RXFP1MAPTLMNA
SCHEMBL8086282 0.88 MAPT (0.44) RAB9ANPC1RXFP1MAPTLMNA
SCHEMBL4247072 0.86 RXFP1 (0.62) RAB9ANPC1RXFP1MAPTLMNA
SCHEMBL4251690 0.86 RAB9A (0.56) RAB9ANPC1RXFP1MAPTLMNA
SCHEMBL4250159 0.83 RAB9A (0.58) RAB9ANPC1RXFP1MAPTLMNA
SCHEMBL3644605 0.81 RXFP1 (0.65) RAB9ANPC1RXFP1MAPTLMNA
SCHEMBL3644686 0.80 MAPT (0.80) MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3641085 0.80 RAB9A (0.83) RAB9ANPC1RXFP1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US claimed
US-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-19 US disclosed
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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 (3 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-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME HRH4, VIPR1, TAAR1 RAB9A 861/4885NPC1 3272/4885RXFP1 7/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 RAB9A 733/4885NPC1 869/4885RXFP1 170/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 RAB9A 1253/4885NPC1 935/4885RXFP1 22/4885

“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.