SCHEMBL1031569

SCHEMBL1031569

O=Cc1cccc(-c2ccccn2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
GRM5 P41594 2/20 0.44
KDM4E B2RXH2 5/20 0.42
LMNA P02545 4/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
BLM P54132 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 3/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL893835 0.84 KDM4E (0.50) TRIM24TRIM33GRM5KDM4ELMNA
SCHEMBL29823771 0.84 KDM4E (0.50) TRIM24TRIM33GRM5KDM4ELMNA
SCHEMBL30062580 0.84 KDM4E (0.50) TRIM24TRIM33GRM5KDM4ELMNA
Hydrochloric Acid SCHEMBL19893873 0.82 KDM4E (0.48) TRIM24TRIM33GRM5KDM4ELMNA
SCHEMBL30017935 0.82 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7850495 0.80 ERN1 (0.49) TRIM24TRIM33GRM5KDM4ELMNA
SCHEMBL4538546 0.80 GRM5 (0.44) TRIM24TRIM33GRM5KDM4ELMNA
SCHEMBL11066745 0.80 GRM5 (0.44) TRIM24TRIM33GRM5KDM4ELMNA
SCHEMBL3364310 0.78 TRIM24 (0.50) TRIM24TRIM33GRM5KDM4ELMNA
SCHEMBL8730491 0.77 KDM4E (0.50) GRM5KDM4ELMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-8796465-B2 Process for the syntheses of triazoles MELINTA THERAPEUTICS, INC. (US) 2014-08-05 US disclosed
US-20140031402-A1 Process for the Syntheses of Triazoles RIB-X PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 US disclosed
EP-1904489-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES Rib-X Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
WO-2006133397-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB-X PHARMACEUTICALS, INC. (US) 2006-12-14 WO 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 (3 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-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 TRIM24 2523/4885TRIM33 729/4885GRM5 3597/4885
US-20140031402-A1 Process for the Syntheses of Triazoles PROKR1, VIP, SI TRIM24 2081/4885TRIM33 624/4885GRM5 3673/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 TRIM24 2523/4885TRIM33 729/4885GRM5 3597/4885

“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.