SCHEMBL4078626

SCHEMBL4078626

CC(C)(C)c1cc(C=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.63
▸ HTT P42858 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GALR3 O60755 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH5A1 P51649 1/20 0.50
▸ ABAT P80404 1/20 0.50
▸ GPR35 Q9HC97 3/20 0.49
▸ GABBR2 O75899 1/20 0.46
▸ GABBR1 Q9UBS5 1/20 0.46
▸ ERN1 O75460 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ VCAM1 P19320 1/20 0.42
▸ EEF2K O00418 1/20 0.41
▸ SRC P12931 1/20 0.41

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
SCHEMBL1515898 0.84 XDH (0.63) XDHMEN1KMT2AALDH5A1ABAT
SCHEMBL6897071 0.82 XDH (0.81) XDHMEN1KMT2AALDH5A1ABAT
SCHEMBL85764 0.80 GABBR2 (0.66) HTTMEN1GALR3KMT2ASMN1; SMN2
Water SCHEMBL1502204 0.79 GABBR2 (0.63) HTTMEN1GALR3KMT2ASMN1; SMN2
Water SCHEMBL1502206 0.79 GABBR2 (0.63) HTTMEN1GALR3KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL31385524 0.79 GABBR2 (0.63) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL5361776 0.78 ALDH1A1 (0.56) XDHHTTMEN1GALR3KMT2A
SCHEMBL397532 0.78 GPR35 (0.62) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL17500084 0.78 GPR35 (0.69) HTTMEN1GALR3KMT2ASMN1; SMN2
Dinoterb SCHEMBL8535102 0.78 KMT2A (0.79) HTTMEN1GALR3KMT2ASMN1; SMN2

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
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 — — EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 — — US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 — — EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 — — WO disclosed
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 — — US disclosed
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 — — 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 XDH 1521/4885HTT 2353/4885MEN1 4794/4885

“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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