SCHEMBL5384728

SCHEMBL5384728

CCCC(Oc1cccc(C(=N)N)c1)C(=O)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
F10 P00742 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.43
DRD4 P21917 1/20 0.42

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
SCHEMBL5371300 0.94 KDM4E (0.53) CYP2C19CYP2C9KDM4ENPC1POLB
SCHEMBL5368888 0.85 F10 (0.44) TSHRKDM4ENPC1TP53F10
SCHEMBL5377457 0.83 F10 (0.46) TSHRALDH1A1F10LMNASMN1; SMN2
SCHEMBL5167853 0.80 F10 (0.56) TSHRNPC1ALDH1A1F10LMNA
SCHEMBL5370531 0.78 F10 (0.59) CYP2C19CYP2C9TSHRKDM4ENPC1
SCHEMBL5375602 0.75 CYP2C19 (0.55) CYP2C19CYP2C9HSD17B10KDM4EPOLB
SCHEMBL6297030 0.74 PPARG (0.57) F10
SCHEMBL6298677 0.74 PPARG (0.57) F10
SCHEMBL6297032 0.74 PPARG (0.57) F10
SCHEMBL5371065 0.74 EPHX2 (0.54) KDM4EALDH1A1F10EPHX2

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 CYP2C19 185/4885CYP2C9 161/4885TSHR 1763/4885

“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.