SCHEMBL3836795

SCHEMBL3836795

Cc1nc2c(ccc3[nH]cc(C(=O)O)c(=O)c32)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CSNK2A1 P68400 4/20 0.45
PIM3 Q86V86 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.39
TET2 Q6N021 1/20 0.38
TET1 Q8NFU7 1/20 0.38
CSNK2A2 P19784 3/20 0.36
CSNK2B P67870 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL5664177 0.84 GABRA1 (0.50) CYP1A2HSD17B10KDM4EMEN1KMT2A
SCHEMBL3836798 0.81 SMN1; SMN2 (0.35) CYP1A2HSD17B10KDM4ERAB9ANPC1
SCHEMBL3839419 0.76 MEN1 (0.37) HSD17B10KDM4ERAB9ANPC1HTT
SCHEMBL3839941 0.72 KDM4E (0.38) CYP1A2KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3840520 0.70 CYP1A2 (0.57) CYP1A2HSD17B10CSNK2A1PIM3CLK4
SCHEMBL13255383 0.70 RAB9A (0.45) HSD17B10KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2309708 0.69 HSD17B10 (0.55) CYP1A2HSD17B10CSNK2A1PIM3CLK4
SCHEMBL27773981 0.68 RAB9A (0.46) HSD17B10KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3840990 0.68 CYP1A2 (0.54) CYP1A2HSD17B10CSNK2A1PIM3CLK4
SCHEMBL22050698 0.65 F7 (0.44) CYP1A2HSD17B10KDM4ERAB9ATET2

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
EP-1833830-B1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AG (DE) 2009-10-14 EP disclosed
EP-1833830-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2007-09-19 EP disclosed
US-20060167035-A1 Quinoline derivative, its use, production and pharmaceutical agents containing the latter BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-27 US disclosed
WO-2006066955-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 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-20060167035-A1 Quinoline derivative, its use, production and pharmaceutical agents containing the latter NQO2, RECQL, XDH CYP1A2 8/4885HSD17B10 2404/4885CSNK2A1 452/4885

“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.