SCHEMBL6157574

SCHEMBL6157574

Cc1cc(NC(=O)NN(c2ccccc2)c2cccc(CN)c2)ccc1N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 6/20 0.41
HPGD P15428 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
BLM P54132 1/20 0.40
KCNQ2 O43526 2/20 0.40
HSD17B10 Q99714 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IDH2 P48735 1/20 0.39
CYP1A2 P05177 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
SCHEMBL6157484 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6157230 0.90 MAPT (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6156652 0.87 F10 (0.38) HPGDSMN1; SMN2POLBMAPTKMT2A
SCHEMBL6158842 0.86 KMT2A (0.38) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL6156558 0.81 RAB9A (0.52) ALDH1A1HPGDSMN1; SMN2NPSR1MAPT
SCHEMBL6158826 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL6159444 0.81 F10 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6157131 0.77 TSHR (0.46) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL23292672 0.76 MAPT (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL6156018 0.76 S1PR1 (0.37) HPGDSMN1; SMN2MAPTKMT2AGAA

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-20050171102-A1 Semicarbazide derivatives for combating thromboembolic diseases MERCK PATENT GMBH (DE) 2005-08-04 US claimed
EP-1501814-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GmbH (DE) 2005-02-02 EP claimed
WO-2003093254-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-11-13 WO claimed
US-20050171102-A1 Semicarbazide derivatives for combating thromboembolic diseases MERCK PATENT GMBH (DE) 2005-08-04 US disclosed
EP-1501814-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GmbH (DE) 2005-02-02 EP disclosed
WO-2003093254-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES 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-20050171102-A1 Semicarbazide derivatives for combating thromboembolic diseases SERPINC1, F11, F12 ALDH1A1 212/4885KDM4E 2273/4885HPGD 2249/4885

“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.