SCHEMBL7219345

SCHEMBL7219345

BrCc1ccc2ccnc(Oc3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPA1 O75762 3/20 0.40
ROCK1 Q13464 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
FFAR1 O14842 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
LOX P28300 1/20 0.38
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK8 P45983 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL7214068 0.89 ROCK1 (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL31595996 0.81 EGFR (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL6439627 0.81 EGFR (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7369833 0.78 ROCK1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7213549 0.78 TRPA1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL31596134 0.78 TRPA1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1093339 0.76 TRPA1 (0.54) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL9998100 0.74 ABCG2 (0.45) KMT2ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL7220052 0.72 F10 (0.43) ROCK1
SCHEMBL31595916 0.72 EGFR (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 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 (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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 ALDH1A1 1892/4885MEN1 1685/4885KMT2A 2583/4885

“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.