SCHEMBL5631995

SCHEMBL5631995

Cc1cc(N)ccc1N1CCCC1=S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
THRB P10828 3/20 0.57
GAA P10253 2/20 0.57
NR4A1 P22736 1/20 0.57
PTK2B Q14289 1/20 0.57
KDM4E B2RXH2 4/20 0.49
ALOX15 P16050 2/20 0.49
LMNA P02545 2/20 0.49
RAD52 P43351 3/20 0.46
GFER P55789 2/20 0.46
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.38
YWHAG P61981 1/20 0.38
AVPR2 P30518 1/20 0.38
HTT P42858 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3866106 0.95 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL30168124 0.81 HSD17B10 (0.59) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL3866085 0.81 HSD17B10 (0.59) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL5698156 0.79 ALDH1A1 (0.59) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL4469707 0.78 MAPT (0.47) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL76351 0.77 KMT2A (0.58) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL5425961 0.76 KMT2A (0.57) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL3866358 0.75 ALDH1A1 (0.49) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL7031588 0.74 ALDH1A1 (0.89) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL6156455 0.74 ALDH1A1 (0.96) MAPTALDH1A1KMT2AMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183277-B2 Alpha-((aryl or heteroaryl)ureido or carbamoyloxy)-N-heteroaryl amides; blood-coagulation factor Xa and VIIa inhibitors; synergistic mixtures with other antitumor agents or anticoagulants MERCK PATENT GMBH (DE) 2007-02-27 US disclosed
US-7183277-B2 Alpha-((aryl or heteroaryl)ureido or carbamoyloxy)-N-heteroaryl amides; blood-coagulation factor Xa and VIIa inhibitors; synergistic mixtures with other antitumor agents or anticoagulants MERCK PATENT GMBH (DE) 2007-02-27 US disclosed
US-7183277-B2 Alpha-((aryl or heteroaryl)ureido or carbamoyloxy)-N-heteroaryl amides; blood-coagulation factor Xa and VIIa inhibitors; synergistic mixtures with other antitumor agents or anticoagulants MERCK PATENT GMBH (DE) 2007-02-27 US disclosed
US-20050171154-A1 Carboxylic acid amides MERCK PATENT GMBH (DE) 2005-08-04 US disclosed
EP-1499591-A1 CARBOXYLIC ACID AMIDES MERCK PATENT GmbH (DE) 2005-01-26 EP disclosed
WO-2003093235-A1 CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2003-11-13 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-20050171154-A1 Carboxylic acid amides F11, F12, F2 MAPT 4346/4885ALDH1A1 378/4885KMT2A 1227/4885

“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.