SCHEMBL10691843

SCHEMBL10691843

Nc1c(Br)cc(Br)cc1C(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
POLB P06746 1/20 0.65
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.49
ADORA2A P29274 1/20 0.49
CASP1 P29466 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47
AKR1C3 P42330 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PBRM1 Q86U86 1/20 0.44
HTT P42858 2/20 0.44
ADORA1 P30542 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
SCHEMBL27574758 0.85 MAPT (0.50) MAPTPOLBNPC1ADORA2ACASP1
SCHEMBL14916404 0.83 MAPT (0.61) MAPTPOLBGAANPC1ADORA2A
SCHEMBL21044774 0.83 MAPT (0.53) MAPTPOLBGAAALDH1A1MEN1
SCHEMBL29612169 0.83 MAPT (0.53) MAPTPOLBGAAALDH1A1MEN1
SCHEMBL10701348 0.81 AKR1C3 (0.61) MAPTPOLBGAAPTGDR2AKR1C3
SCHEMBL25197720 0.80 MAPT (0.49) MAPTPOLBGAANPC1ALDH1A1
SCHEMBL15792959 0.79 MAPT (0.56) MAPTPOLBGAANPC1ADORA2A
SCHEMBL15626666 0.79 MAPT (0.58) MAPTPOLBGAAAKR1C3ALDH1A1
SCHEMBL26738 0.79 MAPT (1.00) MAPTPOLBGAANPC1ADORA2A
SCHEMBL30453594 0.79 MAPT (0.58) MAPTPOLBGAAAKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136299-B2 Benzodiazepine derivatives for use in the treatment of Chlamydiales infections COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-10-05 US disclosed
EP-3085375-B1 BENZODIAZEPINE DERIVATIVES FOR USE IN THE TREATMENT OF CHLAMYDIALES INFECTIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2018-06-27 EP disclosed
US-20160311783-A1 Benzodiazepine Derivatives for Use in the Treatment of Chlamydiales Infections COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-10-27 US disclosed
EP-3085375-A1 BENZODIAZEPINE DERIVATIVES FOR USE IN THE TREATMENT OF CHLAMYDIALES INFECTIONS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-10-26 EP disclosed
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed
EP-0112285-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-03-18 EP disclosed
EP-0112285-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-06-27 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 (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-11136299-B2 Benzodiazepine derivatives for use in the treatment of Chlamydiales infections CNR1, GABBR1, GABRA1 MAPT 3212/4885POLB 4094/4885GAA 1830/4885
US-20160311783-A1 Benzodiazepine Derivatives for Use in the Treatment of Chlamydiales Infections CNR1, GABBR1, GABRA1 MAPT 3212/4885POLB 4094/4885GAA 1830/4885

“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.