SCHEMBL7215753

SCHEMBL7215753

CC(=O)Nc1cc(C=O)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
ADRB2 P07550 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL29950977 1.00 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL5044729 0.87 HDAC1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7013927 0.86 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL29957610 0.82 KDM4E (0.54) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7684154 0.82 KDM4E (0.54) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL25784674 0.81 TGM2 (0.45) LMNA
SCHEMBL9649413 0.81 ALDH1A1 (0.55) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL30707812 0.81 ALDH1A1 (0.55) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL6329912 0.80 AKR1C3 (0.59) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL7213473 0.80 AKR1C3 (0.59) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2

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 12 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
WO-2001039759-A2 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-07 WO 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
US-5543279-A SMALL FLUCTUATION IN SENSITIVITY WITH TEMPERATURE CHANGE FUJI PHOTO FILM CO., LTD. (JP) 1996-08-06 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 (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 1892/4885HPGD 402/4885KMT2A 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.