SCHEMBL7037645

SCHEMBL7037645

BrCc1cccc2ccccc12.Cc1ccc(C)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 5/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2C19 P33261 5/20 0.42
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 3/20 0.40
IDH1 O75874 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL7034593 0.91 CYP2C19 (0.40) MEN1KMT2ACYP1A2CYP2A6CYP2C19
SCHEMBL3277029 0.81 CYP1A2 (0.57) MEN1KMT2ACYP1A2CYP2A6CYP2C19
SCHEMBL121688 0.80 CYP1A2 (0.58) MEN1KMT2ACYP1A2CYP2A6CYP2C19
SCHEMBL1050239 0.80 TAAR1 (0.56) MEN1KMT2ACYP1A2CYP2A6ALDH1A1
SCHEMBL29453640 0.80 CYP1A2 (0.58) MEN1KMT2ACYP1A2CYP2A6CYP2C19
Toluene SCHEMBL18150068 0.79 TAAR1 (0.47) MEN1KMT2ACYP2C19CYP2D6CYP3A4
Acetaldehyde SCHEMBL8474948 0.74 CYP1A2 (0.48) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL23527419 0.73 CYP2C19 (0.55) MEN1KMT2ACYP1A2CYP2A6CYP2C19
1,4-Dimethoxybenzene SCHEMBL11332999 0.71 L3MBTL1 (0.59) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL2295689 0.70 CYP2C19 (0.46) MEN1KMT2ACYP1A2CYP2A6CYP2C19

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-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 EP 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-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 MEN1 3405/4885KMT2A 2450/4885CYP1A2 528/4885

“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.