SCHEMBL8273650

SCHEMBL8273650

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MLLT1 Q03111 4/20 0.41
F10 P00742 2/20 0.40
ALOX15 P16050 1/20 0.40
F11 P03951 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 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
SCHEMBL4925817 0.93 F10 (0.40) HRH4HRH3MLLT1F10KMT2A
SCHEMBL8272693 0.90 HRH4 (0.43) HRH4HRH3MLLT1F10ALOX15
SCHEMBL8274765 0.89 HRH4 (0.42) HRH4HRH3MLLT1F10ALOX15
SCHEMBL8274771 0.88 HRH4 (0.43) HRH4HRH3MLLT1F10ALOX15
SCHEMBL8271996 0.87 HRH4 (0.40) HRH4HRH3MLLT1F10ALOX15
SCHEMBL8273616 0.87 F11 (0.43) HRH4HRH3MLLT1F10ALOX15
SCHEMBL4915089 0.84 F10 (0.40) HRH4HRH3MLLT1F10POLB
SCHEMBL4921679 0.83 POLB (0.42) HRH4HRH3MLLT1F10F11
SCHEMBL4917951 0.82 F10 (0.39) HRH4HRH3MLLT1F10F11
SCHEMBL4916310 0.82 HRH4 (0.42) HRH4HRH3F10ALDH1A1MAPT

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 HRH4 84/4885HRH3 134/4885MLLT1 2954/4885

“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.