SCHEMBL4829684

SCHEMBL4829684

O=C(NCCc1ccc(Br)cc1)c1cc2ccccc2cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
MAPT P10636 2/20 0.63
ALDH1A1 P00352 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
SYK P43405 1/20 0.54
MITF O75030 1/20 0.54
NCOA1 Q15788 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50
PLG P00747 1/20 0.50

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
SCHEMBL31481559 0.89 MAPT (0.67) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL27481085 0.89 MAPT (0.67) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL11133405 0.89 MAPT (0.70) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL25474228 0.86 MAPT (0.63) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL8339590 0.86 MAPT (0.63) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL25474382 0.84 KMT2A (0.62) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL11439147 0.82 MAPT (0.84) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL4833769 0.81 MAPT (0.53) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL330504 0.81 HSP90AA1 (0.63) KDM4EMAPTALDH1A1KMT2ASYK
SCHEMBL16627593 0.79 KDM4E (0.51) KDM4EMAPTALDH1A1MEN1KMT2A

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 CN disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 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 (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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 KDM4E 2354/4885MAPT 3058/4885ALDH1A1 3511/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 KDM4E 1333/4885MAPT 4316/4885ALDH1A1 2142/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO KDM4E 1963/4885MAPT 3605/4885ALDH1A1 711/4885

“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.