SCHEMBL6156412

SCHEMBL6156412

NCc1cccc(NN(C(=O)Nc2ccc(N3CCOC3=O)cc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
RCOR1 Q9UKL0 4/20 0.41
KDM1B Q8NB78 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 2/20 0.36
NAAA Q02083 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
CFD P00746 1/20 0.34
AURKB Q96GD4 1/20 0.34
KLKB1 P03952 1/20 0.34
MAPK14 Q16539 2/20 0.34
NTRK1 P04629 1/20 0.34
CASR P41180 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33

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
SCHEMBL6156015 0.84 F10 (0.49) KDM1AMAOBSMN1; SMN2TSHRMAPT
SCHEMBL6157579 0.83 F10 (0.48) KDM1AMAOBSMN1; SMN2TSHRMAPT
SCHEMBL6156421 0.81 KDM1A (0.41) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL6156997 0.80 F10 (0.39) CFDKLKB1MAPK14
SCHEMBL6376838 0.79 RORC (0.39) SMN1; SMN2MAPT
SCHEMBL6156347 0.78 TPSAB1 (0.38) CFDKLKB1TPSAB1TPSD1TPSG1
SCHEMBL6381834 0.77 KLKB1 (0.38) POLBCFDKLKB1MAPK14
SCHEMBL6156079 0.77 F10 (0.44) SMN1; SMN2POLBTSHRMAPTCASR
SCHEMBL6159501 0.77 SMN1; SMN2 (0.50) KDM1AMAOBSMN1; SMN2TSHRMAPT
SCHEMBL6156428 0.76 NPC1 (0.47) KDM1AMAOBSMN1; SMN2TSHRAURKB

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 KDM1A 710/4885MAOA 1213/4885MAOB 814/4885

“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.