SCHEMBL2560797

SCHEMBL2560797

Sc1ncnn1CC1(c2ccccc2Cl)OC1c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
THRB P10828 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP4 P27487 2/20 0.32
EGLN2 Q96KS0 1/20 0.32
P2RX7 Q99572 1/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3621170 1.00 ALDH1A1 (0.39) ALDH1A1THRBMAPTHTTNPSR1
SCHEMBL13111991 0.90 PTGS2 (0.36) ALDH1A1P2RX7
SCHEMBL3466478 0.86 HTT (0.38) ALDH1A1THRBMAPTHTTNPSR1
SCHEMBL2559324 0.84 NPSR1 (0.37) ALDH1A1THRBMAPTHTTNPSR1
SCHEMBL3466001 0.84 NPSR1 (0.37) ALDH1A1THRBMAPTHTTNPSR1
SCHEMBL2553779 0.83 ALDH1A1 (0.38) ALDH1A1THRBMAPTHTTNPSR1
SCHEMBL3465705 0.83 ALDH1A1 (0.38) ALDH1A1THRBMAPTHTTNPSR1
SCHEMBL3468920 0.82 HTT (0.35) ALDH1A1THRBMAPTHTTNPSR1
SCHEMBL2556283 0.81 PTGS2 (0.32)
SCHEMBL14674096 0.81 PTGS2 (0.32)

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
EP-2557927-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES BASF SE (DE) 2013-02-20 EP claimed
US-20130035229-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES BASF SE (DE) 2013-02-07 US claimed
WO-2011128843-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES BASF SE (DE) 2011-10-20 WO claimed
US-20130035229-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES BASF SE (DE) 2013-02-07 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 (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-20130035229-A1 FUNGICIDAL MIXTURES I COMPRISING QUINAZOLINES CYP1A2, CYP3A7, CYP51A1 ALDH1A1 1049/4885THRB 4782/4885MAPT 2263/4885

“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.