SCHEMBL10046009

SCHEMBL10046009

COc1cccc(NCl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8794977 0.85 CA12 (0.44) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL2577919 0.85 ALDH1A1 (0.59) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL13074497 0.83 APP (0.43) ALDH1A1MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL27993084 0.83 ALDH1A1 (0.57) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL28809274 0.82 ALDH1A1 (0.42) ALDH1A1MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL8683952 0.80 ALDH1A1 (0.42) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL1501174 0.79 CA1 (0.58) ALDH1A1MAPTCA12CA1CA2
SCHEMBL8139679 0.79 ALDH1A1 (0.44) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL12885789 0.79 ALDH1A1 (0.44) ALDH1A1MAPTGAANPC1RAB9A
Ammonia Solution, Strong SCHEMBL2233000 0.77 CA1 (0.55) ALDH1A1MAPTCA12CA1CA2

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-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-7884246-B2 starting from substituted cyclic hydroxy-ketones via aromatization through a substituted oxime intermediate; avoids the use of cryogenic conditions, minimizes the number of operations for an overall faster cycle time; in the preperation of drugs for hepatitis C viral infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-08 US disclosed
US-20080293972-A1 Process for Preparing Substituted Anisidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 ALDH1A1 385/4885MAPT 4445/4885GAA 442/4885
US-20080293972-A1 Process for Preparing Substituted Anisidines ALKBH3, ALKBH1, ALK ALDH1A1 163/4885MAPT 4669/4885GAA 1661/4885

“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.