SCHEMBL4013407

SCHEMBL4013407

COC(=O)C1Cc2cccc(Br)c2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
PDE5A O76074 2/20 0.38
F2 P00734 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
F10 P00742 1/20 0.36
BUB1 O43683 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL30967925 1.00 KMT2A (0.44) KMT2ACYP1A2MTNR1AMTNR1BPDE5A
SCHEMBL20096615 0.87 CYP1A2 (0.49) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL7924693 0.87 CYP1A2 (0.46) KMT2ACYP1A2MTNR1AMTNR1BCA1
SCHEMBL20096622 0.87 CYP1A2 (0.46) KMT2ACYP1A2MTNR1AMTNR1BCA1
SCHEMBL23856770 0.84 ALDH1A1 (0.44) KMT2AALDH1A1SMN1; SMN2
SCHEMBL30047231 0.84 ALDH1A1 (0.44) KMT2AALDH1A1SMN1; SMN2
SCHEMBL9979464 0.83 CA1 (0.46) KMT2ACA1CA2ACHE
SCHEMBL1339793 0.83 KMT2A (0.46) KMT2AMTNR1AMTNR1BF2CA1
SCHEMBL31278113 0.83 KMT2A (0.46) KMT2AMTNR1AMTNR1BF2CA1
SCHEMBL14392825 0.83 KMT2A (0.46) KMT2AMTNR1AMTNR1BF2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C KMT2A 1449/4885CYP1A2 583/4885MTNR1A 2155/4885

“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.