SCHEMBL1756748

SCHEMBL1756748

[NH]C(=O)C1CNc2ccccc2O1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
NISCH Q9Y2I1 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
CASR P41180 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL924190 0.85 HPGD (0.59) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL1756750 0.85 HPGD (0.59) HPGDNISCHCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL18641917 0.83 HPGD (0.58) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL15373676 0.83 HPGD (0.62) HPGDNISCHCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL29617683 0.83 HPGD (0.58) HPGDNISCHCYP1A2CYP3A4CYP2C9
Lithium Ion SCHEMBL4836215 0.82 HPGD (0.57) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL17432715 0.81 HPGD (0.64) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL24378114 0.80 HPGD (0.58) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL8562493 0.80 HPGD (0.61) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL8567992 0.80 HPGD (0.69) HPGDNISCHCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 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 (4 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HPGD 1635/4885NISCH 419/4885CYP1A2 1198/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HPGD 1635/4885NISCH 419/4885CYP1A2 1198/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 HPGD 1619/4885NISCH 386/4885CYP1A2 1194/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HPGD 1708/4885NISCH 408/4885CYP1A2 1257/4885

“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.