SCHEMBL6159517

SCHEMBL6159517

Cc1cc(NC(=O)N(Nc2cccc(CN)c2)c2ccc(F)cc2)ccc1N1CCCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TP53 P04637 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX12 P18054 1/20 0.35
HCRTR1 O43613 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6157569 0.93 TP53 (0.38) F10PRSS1PRSS2PRSS3TP53
SCHEMBL6156664 0.90 TP53 (0.40) F10PRSS1PRSS2PRSS3TP53
SCHEMBL6156428 0.88 NPC1 (0.47) F10PRSS1PRSS2PRSS3TP53
SCHEMBL6156081 0.88 F10 (0.43) F10
SCHEMBL6159501 0.85 SMN1; SMN2 (0.50) F10PRSS1PRSS2PRSS3TP53
SCHEMBL6159444 0.82 F10 (0.37) F10PRSS1PRSS2PRSS3TP53
SCHEMBL6156928 0.82 TPSAB1 (0.36) F10TPSAB1TPSD1TPSG1
SCHEMBL6158826 0.80 ALDH1A1 (0.43) TP53GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL6156015 0.80 F10 (0.49) F10TP53GAAALDH1A1SMN1; SMN2
SCHEMBL5164563 0.80 F10 (0.41) F10PRSS1PRSS2PRSS3TP53

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 F10 6/4885PRSS1 91/4885PRSS2 779/4885

“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.