SCHEMBL6157579

SCHEMBL6157579

NCc1cccc(NN(C(=O)Nc2ccc(N3CCCCCC3=O)cc2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.48
TSHR P16473 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 2/20 0.41
GFER P55789 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
NAMPT P43490 1/20 0.40
CDK2 P24941 1/20 0.40

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 0.99 F10 (0.49) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6156428 0.91 NPC1 (0.47) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6159501 0.89 SMN1; SMN2 (0.50) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6157569 0.86 TP53 (0.38) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6156928 0.84 TPSAB1 (0.36) F10
SCHEMBL6157482 0.84 F10 (0.68) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6156664 0.83 TP53 (0.40) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6157604 0.83 F10 (0.47) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6156412 0.83 KDM1A (0.41) TSHRSMN1; SMN2KDM1AMAOBCDK2
SCHEMBL5377575 0.81 F10 (0.72) F10TSHRNPC1RAB9ASMN1; SMN2

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 4 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
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 6/4885TSHR 120/4885NPC1 1451/4885

“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.