SCHEMBL6723448

SCHEMBL6723448

Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)O)oc1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
KDM4E B2RXH2 1/20 0.51
APAF1 O14727 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
P4HB P07237 2/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TACR1 P25103 1/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL20510012 0.84 P4HB (0.57) POLBMAPTALDH1A1HPGDITGB2
SCHEMBL20510013 0.84 P4HB (0.57) POLBMAPTALDH1A1HPGDITGB2
SCHEMBL3789170 0.83 SRC (0.50) POLBMAPTHPGDITGB2ICAM1
SCHEMBL1927371 0.83 KCNT1 (0.47) POLBMAPTALDH1A1HPGDGAA
SCHEMBL27564518 0.83 KCNT1 (0.47) POLBMAPTALDH1A1HPGDGAA
SCHEMBL3784918 0.81 SMN1; SMN2 (0.48) POLBMAPTALDH1A1HPGDITGB2
SCHEMBL10742700 0.80 TACR1 (0.46) POLBMAPTHPGDITGB2ICAM1
SCHEMBL23100716 0.80 SMN1; SMN2 (0.59) POLBMAPTITGB2ICAM1ITGAL
SCHEMBL23100718 0.80 SMN1; SMN2 (0.59) POLBMAPTITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL6715708 0.79 KDM4E (0.64) MAPTALDH1A1HPGDKDM4EUSP2

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
US-20040038970-A1 Beta-carboline compounds SOCIETE DE CONSEILS DE RECHERCHES ETD' APPLICATION SCIENTIFIQUES, S.A.S. A PARIS, FRANCE CORP. 2004-02-26 US disclosed
US-6586445-B1 Racemic mixtures of 1,2,3,4-tetra hydro-1-(4-methoxyphenyl)-3 -(4-phenyl-1H-imidazol-2-yl)-9H- pyrido(3,4-b)indole, which bind to somatostatin receptors and block sodium channel modulators; antidiabetic, antiinflammatory agents; diarrhea Société de Conseils de Recherches et d'Applications Scientifiques, S.A.S. (FR) 2003-07-01 US disclosed
EP-1086101-B1 BETA-CARBOLINE COMPOUNDS SOD CONSEILS RECH APPLIC (FR) 2002-12-18 EP disclosed
EP-1086101-A1 BETA-CARBOLINE COMPOUNDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-03-28 EP disclosed
WO-1999064420-A1 β-CARBOLINE COMPOUNDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S (FR) 1999-12-16 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-20040038970-A1 Beta-carboline compounds SCN1B, SCN2B, CACNA1B POLB 3459/4885MAPT 3536/4885ALDH1A1 2099/4885

“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.