SCHEMBL6807557

SCHEMBL6807557

N=C(N)c1cccc(NC(=O)CNc2ccc(N3CCCCC3=O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.63
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
PKM P14618 1/20 0.48
PRSS1 P07477 2/20 0.47
F2 P00734 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
AURKA O14965 1/20 0.44

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
SCHEMBL5163957 0.96 F10 (0.66) F10RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6807106 0.92 F10 (0.53) F10RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5163935 0.88 F10 (0.55) F10RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5166228 0.85 F10 (0.53) F10RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5164810 0.82 F10 (0.60) F10RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6803971 0.81 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL5165467 0.81 F10 (0.68) F10RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5164789 0.80 TSHR (0.48) F10RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6808410 0.79 F10 (0.95) F10RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5164139 0.78 F10 (0.70) F10RAB9ASMN1; SMN2NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 US claimed
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 US 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-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours RCOR3, F2, NCOR2 F10 64/4885RAB9A 4524/4885SMN1; SMN2 2813/4885

“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.