SCHEMBL8273616

SCHEMBL8273616

Cc1cc(NC(=O)C(CCc2ccccc2)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.43
HRH4 Q9H3N8 4/20 0.40
HRH3 Q9Y5N1 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
MLLT1 Q03111 2/20 0.39
LMNA P02545 1/20 0.38
F9 P00740 1/20 0.38
POLB P06746 3/20 0.37
F10 P00742 1/20 0.37
PDE10A Q9Y233 1/20 0.37
AVPR2 P30518 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 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
SCHEMBL4920927 0.94 OPRM1 (0.39) F11HRH4HRH3OPRM1OPRD1
SCHEMBL8274765 0.91 HRH4 (0.42) F11HRH4HRH3SMN1; SMN2ALOX15
SCHEMBL8272693 0.90 HRH4 (0.43) F11HRH4HRH3ALOX15MLLT1
SCHEMBL8274771 0.88 HRH4 (0.43) F11HRH4HRH3ALOX15MLLT1
SCHEMBL8273650 0.87 HRH4 (0.43) F11HRH4HRH3SMN1; SMN2ALOX15
SCHEMBL8271996 0.86 HRH4 (0.40) F11HRH4HRH3ALOX15MLLT1
SCHEMBL4921679 0.84 POLB (0.42) F11HRH4HRH3SMN1; SMN2MLLT1
SCHEMBL4915089 0.83 F10 (0.40) HRH4HRH3SMN1; SMN2MLLT1POLB
SCHEMBL4921955 0.81 F10 (0.38) F11HRH4HRH3SMN1; SMN2POLB
SCHEMBL4925817 0.80 F10 (0.40) HRH4HRH3SMN1; SMN2MLLT1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
WO-2005121103-A1 BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 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-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT CYP2C19, CYP3A4, CYP2B6 F11 1601/4885HRH4 84/4885HRH3 134/4885

“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.