SCHEMBL3964092

SCHEMBL3964092

Clc1ccc2cc(CBr)nc(Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
CYP2A6 P11509 1/20 0.34
TYMS P04818 3/20 0.34
PARP1 P09874 1/20 0.33
NR4A2 P43354 2/20 0.32
NOS1 P29475 1/20 0.32
DYRK1A Q13627 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL30129797 0.78 L3MBTL1 (0.41) CCR1CYP2A6ALDH1A1LMNAKMT2A
SCHEMBL28810567 0.76 CYP2A6 (0.37) CYP2A6TYMSNR4A2NOS1DYRK1A
SCHEMBL11792799 0.75 CYP2A6 (0.39) CYP2A6TYMSNR4A2NOS1DYRK1A
SCHEMBL4387539 0.72 POLB (0.48) CYP2A6TYMSNR4A2ALDH1A1POLB
SCHEMBL17786816 0.72 CYP2A6 (0.38) CCR1CYP2A6NR4A2NOS1DYRK1A
SCHEMBL4388506 0.72 CYP2A6 (0.42) CCR1CYP2A6NR4A2NOS1DYRK1A
SCHEMBL203068 0.71 CCR1 (0.48) CCR1CYP2A6NR4A2DYRK1ALMNA
SCHEMBL29518426 0.71 CCR1 (0.48) CCR1CYP2A6NR4A2DYRK1ALMNA
SCHEMBL201434 0.69 CCR1 (0.47) CCR1CYP2A6NR4A2DYRK1AALDH1A1
SCHEMBL16008294 0.68 CYP2A6 (0.39) CYP2A6DYRK1ACHEK1ALDH1A1LMNA

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
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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 (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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 CCR1 2009/4885CYP2A6 396/4885TYMS 2132/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CCR1 1557/4885CYP2A6 225/4885TYMS 2138/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CCR1 2109/4885CYP2A6 372/4885TYMS 1838/4885

“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.