SCHEMBL18547701

SCHEMBL18547701

COC(=O)c1ccc(C(C)Br)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56
HTT P42858 4/20 0.55
ALDH1A1 P00352 3/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
SETD7 Q8WTS6 1/20 0.45
MAPT P10636 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44

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
SCHEMBL10983663 0.86 MEN1 (0.58) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL2303474 0.86 MEN1 (0.58) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL27496188 0.82 KMT2A (0.50) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL8807366 0.81 CYP2C19 (0.53) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL69791 0.81 HTT (0.69) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL6440734 0.81 MEN1 (0.56) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL17582660 0.81 MEN1 (0.56) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL24479152 0.80 ALDH1A1 (0.54) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL28582917 0.80 MEN1 (0.51) KMT2ACYP2C19MEN1CYP1A2HTT
SCHEMBL27262022 0.80 TDP1 (0.44) KMT2AMEN1ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 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 (3 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 KMT2A 3436/4885CYP2C19 503/4885MEN1 3980/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 KMT2A 3421/4885CYP2C19 487/4885MEN1 3963/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 KMT2A 3421/4885CYP2C19 487/4885MEN1 3963/4885

“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.