SCHEMBL13858869

SCHEMBL13858869

N#Cc1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1Br.N#Cc1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.46
HTT P42858 3/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PSD A5PKW4 1/20 0.35
DYRK1A Q13627 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
IDO1 P14902 1/20 0.35
MAPT P10636 3/20 0.33
GRM5 P41594 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL116957 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGAAHTT
Thiocyanic Acid SCHEMBL29118523 0.95 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL29118524 0.90 KDM4E (0.39) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL29244119 0.90 KDM4E (0.39) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL9567399 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL28888967 0.88 KDM4E (0.38) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL9567351 0.87 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL1180128 0.87 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL10591516 0.87 KIF11 (0.45) ALDH1A1KDM4EGAAHTTKMT2A
SCHEMBL27425531 0.87 GAA (0.45) ALDH1A1KDM4ELMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510867-A1 ANTIMICROBIAL POLYMER BASF SE (DE) 2019-07-17 EP disclosed
US-20190133125-A1 ANTIMICROBIAL POLYMER BASF SE (DE) 2019-05-09 US disclosed
EP-3334280-A1 ANTIMICROBIAL POLYMER BASF SE (DE) 2018-06-20 EP disclosed
WO-2017025433-A1 ANTIMICROBIAL POLYMER BASF SE (DE) 2017-02-16 WO disclosed
WO-2012156485-A1 WEB-SHAPED FILM, METHOD FOR COATING A WATER VEHICLE, AND WATER VEHICLE OCEAN IP HOLDING UG (DE) 2012-11-22 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 (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-20190133125-A1 ANTIMICROBIAL POLYMER C9, PM20D2, DDC ALDH1A1 2897/4885KDM4E 3619/4885LMNA 1870/4885

“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.