SCHEMBL6158832

SCHEMBL6158832

Cc1cc(NC(=O)NNc2cccc(C#N)c2)ccc1N1CCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 2/20 0.41
GAA P10253 2/20 0.41
CCR3 P51677 1/20 0.39
HIF1A Q16665 1/20 0.39
KDR P35968 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALOX15 P16050 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
SCHEMBL6157189 0.81 KCNJ6 (0.40) MEN1MAPTKMT2AALDH1A1KCNJ6
SCHEMBL6156353 0.81 TP53 (0.40) MEN1MAPTKMT2AALDH1A1KCNJ6
SCHEMBL5163979 0.79 F10 (0.42) ALDH1A1KCNJ6KCNJ5KCNJ3TP53
Hydrochloric Acid SCHEMBL27601422 0.78 F10 (0.42) ALDH1A1KCNJ6KCNJ5KCNJ3TP53
SCHEMBL1377368 0.72 ALDH1A1 (0.49) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL14447127 0.72 MAPT (0.42) MEN1MAPTKMT2ATP53NPC1
SCHEMBL6803971 0.71 ALDH1A1 (0.54) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL7150787 0.70 RAB9A (0.54) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL4113462 0.70 MAPT (0.73) MEN1MAPTKMT2AALDH1A1KCNJ6
SCHEMBL7153206 0.69 RAB9A (0.53) MEN1MAPTKMT2AALDH1A1TP53

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 3 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 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 MEN1 201/4885MAPT 4863/4885KMT2A 2663/4885

“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.