SCHEMBL6954262

SCHEMBL6954262

Cn1cccc1C(=O)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.48
PARP1 P09874 1/20 0.47
MAPT P10636 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL5223686 0.81 SMN1; SMN2 (0.62) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10513349 0.81 PBRM1 (0.54) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL15201237 0.81 PARP1 (0.47) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10941605 0.80 CYP2C9 (0.53) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL30733928 0.79 PARP1 (0.46) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL5215323 0.79 ALDH1A1 (0.56) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11732492 0.77 GAA (0.55) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL15100604 0.77 SMN1; SMN2 (0.54) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL15201680 0.77 IDO1 (0.50) ALDH1A1MEN1KMT2ANPC1PARP1
SCHEMBL526662 0.76 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154996-B1 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO MCNEIL PHARM INC (US) 2003-11-05 EP disclosed
US-6369228-B2 ANTICONVULSANTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-09 US disclosed
US-20010044452-A1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain CARSON JOHN R (US) 2001-11-22 US disclosed
EP-1154996-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN Ortho-McNeil Pharmaceutical, Inc. (US) 2001-11-21 EP disclosed
US-6191142-B1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-02-20 US disclosed
WO-2000048584-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-24 WO disclosed
US-5332736-A Anti-convulsant aroyl aminoacylpyrroles ORTHO PHARMACEUTICAL CORPORATION (US) 1994-07-26 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-20010044452-A1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain OPRL1, AADAT, OPRK1 SMN1; SMN2 1076/4885HSD17B10 1851/4885ALDH1A1 1044/4885

“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.