SCHEMBL3989321

SCHEMBL3989321

COC(=O)CC(NC(=O)c1cc(Br)ccc1OCc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.45
▸ KCNQ3 O43525 2/20 0.45
▸ KCNQ2 O43526 2/20 0.45
▸ RORC P51449 1/20 0.44
▸ KIFC1 Q9BW19 2/20 0.43
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGER1 P34995 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ MTTP P55157 1/20 0.38

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
SCHEMBL3993208 0.93 KIFC1 (0.45) LRRK2KCNQ3KCNQ2KIFC1RXRA
SCHEMBL5927090 0.93 LRRK2 (0.49) LRRK2KIFC1MEN1POLBKMT2A
SCHEMBL5926396 0.93 LRRK2 (0.52) LRRK2MEN1POLBKMT2AALDH1A1
SCHEMBL5926374 0.92 LRRK2 (0.44) LRRK2KCNQ3KCNQ2KIFC1MEN1
SCHEMBL5927357 0.88 LRRK2 (0.45) LRRK2KCNQ3KCNQ2MEN1POLB
SCHEMBL3996604 0.87 LRRK2 (0.45) LRRK2KCNQ3KCNQ2KIFC1MEN1
SCHEMBL3998698 0.87 KCNQ3 (0.42) KCNQ3KCNQ2RORCMEN1POLB
SCHEMBL5926748 0.87 LRRK2 (0.49) LRRK2MEN1POLBKMT2APTGER1
SCHEMBL5927547 0.86 LRRK2 (0.47) LRRK2POLBALDH1A1LMNAMAPK1
SCHEMBL3993205 0.86 KIFC1 (0.60) LRRK2KCNQ3KCNQ2KIFC1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
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
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 — — EP disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014533-A2 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 (4 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 LRRK2 1132/4885KCNQ3 666/4885KCNQ2 656/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 LRRK2 638/4885KCNQ3 1174/4885KCNQ2 1112/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 LRRK2 1752/4885KCNQ3 907/4885KCNQ2 1261/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO LRRK2 1424/4885KCNQ3 3473/4885KCNQ2 3590/4885

“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.

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