SCHEMBL6157230

SCHEMBL6157230

NCc1cccc(N(NC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
RAB9A P51151 7/20 0.48
ALDH1A1 P00352 6/20 0.48
NPC1 O15118 6/20 0.48
LMNA P02545 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 2/20 0.48
CASP1 P29466 1/20 0.48
S1PR1 P21453 1/20 0.46
NPY2R P49146 5/20 0.46
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6156558 0.91 RAB9A (0.52) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6157574 0.90 ALDH1A1 (0.41) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6156453 0.83 F10 (0.45) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6157484 0.81 ALDH1A1 (0.43) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6157583 0.80 MAPT (0.47) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6156652 0.79 F10 (0.38) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6157131 0.78 TSHR (0.46) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6158842 0.78 KMT2A (0.38) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6156018 0.77 S1PR1 (0.37) MAPTSMN1; SMN2LMNAMAPK1S1PR1
SCHEMBL6156115 0.77 TSHR (0.46) MAPTSMN1; SMN2RAB9AALDH1A1NPC1

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 MAPT 4863/4885SMN1; SMN2 3250/4885RAB9A 1150/4885

“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.