SCHEMBL5372787

SCHEMBL5372787

N=C(N)c1cccc(NC(C(=O)NCCCN2CCCCC2)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.56
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PRSS1 P07477 3/20 0.52
RAB9A P51151 1/20 0.45
HTR7 P34969 1/20 0.45
F2 P00734 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CCR2 P41597 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL5372728 0.91 KDM4E (0.51) F10TP53CYP1A2TSHRPRSS1
SCHEMBL5371065 0.85 EPHX2 (0.54) F10CYP3A4PRSS1CCR2KDM4E
SCHEMBL5372356 0.81 F10 (0.60) F10TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5164305 0.76 F10 (0.79) F10TSHRPRSS1RAB9AF2
SCHEMBL5368888 0.74 F10 (0.44) F10TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5371292 0.73 F10 (0.98) F10TP53CYP1A2CYP2D6TSHR
SCHEMBL8975590 0.73 RAB9A (0.80) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5372968 0.73 TP53 (0.53) F10TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5918522 0.73 F10 (0.70) F10PRSS1F2
SCHEMBL6784570 0.73 F10 (0.49) F10PRSS1F2CCR2

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-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 F10 6/4885TP53 4035/4885CYP1A2 162/4885

“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.