SCHEMBL1757010

SCHEMBL1757010

O=C(O)CC1(NC(=O)Nc2ccccc2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
POLB P06746 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
EPHX2 P34913 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
CDK9 P50750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.45
USP2 O75604 2/20 0.45
NPC1 O15118 2/20 0.44
P2RX7 Q99572 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
SCHEMBL1757278 0.78 ADRB2 (0.63) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL29116605 0.76 SMN1; SMN2 (0.52) EPHX1POLBALDH1A1HPGDKDM4E
SCHEMBL9034548 0.76 ADRB2 (0.51) POLBALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1186102 0.73 ADRB2 (0.57) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9818668 0.73 CNR1 (0.70) POLBALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL5019821 0.73 CYP2C19 (0.48) ALDH1A1HPGDSMN1; SMN2TSHRKMT2A
SCHEMBL4110578 0.72 CTSS (0.55) EPHX1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL300331 0.71 CNR1 (0.72) POLBALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL9009913 0.71 RAB9A (0.45) EPHX1POLBALDH1A1HPGDKDM4E
SCHEMBL3369935 0.70 CYP2C19 (0.45) ALDH1A1SMN1; SMN2TSHRKMT2AMAPK1

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 24 patents — showing the first 20. 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-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
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US 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
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 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-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
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US 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 EPHX1 2861/4885POLB 4271/4885ALDH1A1 2927/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 EPHX1 2861/4885POLB 4271/4885ALDH1A1 2927/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 EPHX1 2819/4885POLB 4268/4885ALDH1A1 2917/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 EPHX1 2832/4885POLB 4255/4885ALDH1A1 2955/4885

“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.