SCHEMBL10008041

SCHEMBL10008041

O=C1c2ccccc2C(=O)N1Cc1c(Br)cncc1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1B1 Q16678 7/20 0.46
▸ TYR P14679 2/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RECQL P46063 1/20 0.42

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
SCHEMBL25320410 0.79 KMT2A (0.53) ALDH1A1MEN1PKMKMT2ACYP1B1
SCHEMBL29530999 0.79 KMT2A (0.53) ALDH1A1MEN1PKMKMT2ACYP1B1
SCHEMBL2894639 0.78 CYP1B1 (0.48) ALDH1A1MEN1PKMKMT2ACYP1B1
SCHEMBL30382641 0.76 CYP1B1 (0.49) MEN1PKMKMT2ACYP1B1TYR
SCHEMBL1606055 0.76 CYP1B1 (0.49) MEN1PKMKMT2ACYP1B1TYR
SCHEMBL11304272 0.74 CYP1B1 (0.48) ALDH1A1MEN1PKMKMT2ACYP1B1
SCHEMBL23088403 0.73 KMT2A (0.45) ALDH1A1MEN1PKMKMT2ACYP1B1
SCHEMBL18669045 0.73 MEN1 (0.48) ALDH1A1MEN1PKMKMT2ACYP1B1
SCHEMBL6095022 0.73 TYR (0.64) ALDH1A1MEN1PKMKMT2ACYP1B1
SCHEMBL10754225 0.72 CASP3 (0.56) ALDH1A1MEN1PKMKMT2ACASP3

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-9006459-B2 Fluorescent markers and use thereof for labeling specific protein targets UNIVERSITY OF OTTAWA (CA) 2015-04-14 — — US disclosed
US-20150004712-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS UNIVERSITY OF OTTAWA (CA) 2015-01-01 — — US disclosed
US-8835641-B2 Fluorescent markers and use thereof for labeling specific protein targets UNIVERSITY OF OTTAWA (CA) 2014-09-16 — — US disclosed
US-20120171665-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS UNIVERSITE DE MONTREAL (CA) 2012-07-05 — — 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 (2 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-20120171665-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS HNRNPH1, HNRNPH3, HNRNPC ALDH1A1 2633/4885MEN1 4407/4885PKM 4657/4885
US-20150004712-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS HNRNPH1, HNRNPH3, HNRNPC ALDH1A1 2633/4885MEN1 4407/4885PKM 4657/4885

“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.

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