SCHEMBL16398596

SCHEMBL16398596

[c]1ccc(C=Cc2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HBB P68871 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45

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
SCHEMBL5237017 1.00 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL210914 0.84 MAOB (0.33) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL107198 0.84 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL152100 0.84 MAOB (0.33) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL138489 0.84 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL135604 0.81 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL31175769 0.81 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL9966009 0.81 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL10495642 0.79 KMT2A (0.41) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10452019 0.76 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707540-B2 Metal-organic materials and method for preparation YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-18 US disclosed
US-9611218-B2 Metal-organic materials and method for preparation YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2017-04-04 US disclosed
US-20160271582-A1 METAL-ORGANIC MATERIALS AND METHOD FOR PREPARATION YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-09-22 US disclosed
CN-105873987-A Metal organic material and preparation method 耶达研究及发展有限公司 2016-08-17 CN disclosed
US-20160152568-A1 METAL-ORGANIC MATERIALS AND METHOD FOR PREPARATION YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-06-02 US disclosed
EP-3022250-A1 METAL-ORGANIC MATERIALS AND METHOD FOR PREPARATION YEDA RESEARCH AND DEVELOPMENT CO. LTD., AT THE WEI (IL) 2016-05-25 EP disclosed
WO-2015008280-A1 METAL-ORGANIC MATERIALS AND METHOD FOR PREPARATION YEDA RESEARCH AND DEVELOPMENT CO. LTD AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 2015-01-22 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 (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-20160152568-A1 METAL-ORGANIC MATERIALS AND METHOD FOR PREPARATION CACNG7, CACNG3, PSEN2 MAPT 645/4885NPC1 3579/4885RAB9A 3631/4885
US-20160271582-A1 METAL-ORGANIC MATERIALS AND METHOD FOR PREPARATION CACNG7, CACNG3, CACNA1I MAPT 668/4885NPC1 3260/4885RAB9A 3803/4885

“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.