SCHEMBL4191641

SCHEMBL4191641

Cc1nc2ccccc2n1CO

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.64
LMNA P02545 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 1/20 0.63
GALR3 O60755 3/20 0.60
NR2F2 P24468 3/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
HTT P42858 3/20 0.58
TSHR P16473 3/20 0.58
MAPT P10636 1/20 0.58
AGER Q15109 1/20 0.58
APAF1 O14727 1/20 0.58
PKM P14618 1/20 0.55
TP53 P04637 1/20 0.54

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
SCHEMBL31498004 1.00 TNF (0.64) TNFLMNASMN1; SMN2ALDH1A1GALR3
SCHEMBL1520226 0.85 KMT2A (0.62) TNFLMNASMN1; SMN2ALDH1A1GALR3
SCHEMBL6446137 0.84 LMNA (0.69) TNFLMNASMN1; SMN2ALDH1A1GALR3
SCHEMBL1104819 0.82 TNF (0.66) TNFLMNASMN1; SMN2ALDH1A1GALR3
SCHEMBL10389744 0.81 LMNA (0.62) TNFLMNASMN1; SMN2ALDH1A1GALR3
Hydrochloric Acid SCHEMBL8009001 0.81 PKM (0.64) TNFLMNASMN1; SMN2ALDH1A1GALR3
SCHEMBL11130492 0.81 TNF (0.64) TNFLMNASMN1; SMN2ALDH1A1GALR3
SCHEMBL4728183 0.81 TNF (0.64) TNFLMNASMN1; SMN2ALDH1A1GALR3
SCHEMBL9260111 0.80 TNF (0.77) TNFLMNASMN1; SMN2ALDH1A1GALR3
SCHEMBL2330274 0.79 LMNA (0.69) TNFLMNASMN1; SMN2ALDH1A1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed
EP-0195947-A2 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1986-10-01 EP disclosed
US-3929705-A Preservatives for surface-coating compositions KAY-FRIES HOLDING INC. 1975-12-30 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 (2 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 TNF 3789/4885LMNA 2469/4885SMN1; SMN2 478/4885
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 TNF 1/4885LMNA 435/4885SMN1; SMN2 3011/4885

“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.