SCHEMBL12745129

SCHEMBL12745129

Brc1ccc(Nc2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
OPRK1 P41145 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
PDK2 Q15119 2/20 0.40
NAT1 P18440 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGS2 P35354 1/20 0.39
HTR2B P41595 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
SCHEMBL12745130 0.95 MEN1 (0.45) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL30564983 0.90 MAPT (0.55) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL283063 0.90 MAPT (0.55) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL283196 0.89 MEN1 (0.59) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL29506706 0.89 MEN1 (0.59) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12745195 0.89 KMT2A (0.39) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12745223 0.88 PDK2 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12745256 0.88 PDK2 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL15866664 0.88 MAPT (0.57) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL17816646 0.88 MEN1 (0.57) MEN1KMT2AMAPTKDM4ELMNA

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-8729310-B2 Halogenated diarylamine compound and synthesis method thereof SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-20 US disclosed
US-8729310-B2 Halogenated diarylamine compound and synthesis method thereof SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-20 US disclosed
US-20110071317-A1 HALOGENATED DIARYLAMINE COMPOUND AND SYNTHESIS METHOD THEREOF SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-03-24 US disclosed
US-20110071317-A1 HALOGENATED DIARYLAMINE COMPOUND AND SYNTHESIS METHOD THEREOF SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-03-24 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-20110071317-A1 HALOGENATED DIARYLAMINE COMPOUND AND SYNTHESIS METHOD THEREOF DDT, NAT1, CYP1A1 MEN1 359/4885KMT2A 498/4885MAPT 4179/4885

“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.