SCHEMBL6782241

SCHEMBL6782241

COC(=O)c1ccc(C=O)c(NC(=O)CCc2ccc(C#N)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 4/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
LTB4R Q15722 1/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6779871 0.91 MAPT (0.47) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL6776514 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL23577769 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28445821 0.72 SAE1 (0.57) ALDH1A1MAPTTSHRPOLBRXFP1
SCHEMBL5292551 0.72 POLB (0.61) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5300871 0.71 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2770793 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14289945 0.70 RAB9A (0.53) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL29979048 0.69 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL15389387 0.69 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710055-B2 INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2004-03-23 US disclosed
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 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-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB ALDH1A1 2949/4885KDM4E 2938/4885HPGD 97/4885

“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.