SCHEMBL6583868

SCHEMBL6583868

Cc1cc(C(=O)CC#N)ccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
RXRB P28702 2/20 0.40
RXRA P19793 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KCNH2 Q12809 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RARB P10826 1/20 0.38
MYC P01106 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3591477 0.84 CES2 (0.50) ALDH1A1MAPTMEN1KMT2ANR1H4
SCHEMBL28537504 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL12694459 0.81 ALPL (0.41) ALDH1A1MAPTMEN1KMT2AKCNH2
SCHEMBL988145 0.79 SMN1; SMN2 (0.48) ALDH1A1MAPTMEN1KMT2ANR1H4
Water SCHEMBL3832510 0.78 MYC (0.56) ALDH1A1MAPTMEN1KMT2ARXRB
SCHEMBL11881710 0.78 MYC (0.56) ALDH1A1MAPTMEN1KMT2ARXRB
SCHEMBL16056966 0.77 GSK3B (0.55) ALDH1A1NR1H4RXRBRXRARARB
SCHEMBL28815485 0.77 MTOR (0.40) ALDH1A1MAPTMEN1KMT2ACES2
SCHEMBL14918493 0.76 TSHR (0.52) ALDH1A1CES2CES1
Water SCHEMBL28751190 0.76 MYC (0.55) ALDH1A1MAPTMEN1KMT2ARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257539-B1 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-12-29 EP disclosed
US-6531478-B2 For therapy of eating disorder, obesity, bulimia nervosa, diabetes, binge eating, anorexia nervosa, dyslipidimia, hypertension, memory loss, epileptic seizures, migraine, sleep disturbances, pain, sexual/reproductive disorders KORDIK CHERYL P (US) 2003-03-11 US disclosed
EP-1257539-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-11-20 EP disclosed
US-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders KORDIK CHERYL P (US) 2002-05-30 US disclosed
WO-2001062737-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-08-30 WO 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R ALDH1A1 3758/4885MAPT 2451/4885MEN1 2836/4885

“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.