SCHEMBL610102

SCHEMBL610102

COC(=O)c1nc(C)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.56
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 5/20 0.44
PKM P14618 2/20 0.44
RCE1 Q9Y256 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 2/20 0.39
NOTUM Q6P988 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL29679379 0.83 ALDH1A1 (0.51) NPSR1KDM4EPKMRCE1ALDH1A1
SCHEMBL240027 0.83 ALDH1A1 (0.51) NPSR1KDM4EPKMRCE1ALDH1A1
SCHEMBL26281309 0.82 ALDH1A1 (0.52) S1PR4NPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL2372967 0.81 NPSR1 (0.52) S1PR4NPSR1KDM4EPKMALDH1A1
SCHEMBL22056692 0.81 L3MBTL1 (0.44) S1PR4NPSR1KDM4EPKMRCE1
SCHEMBL3860719 0.80 NPSR1 (0.47) S1PR4NPSR1KDM4EPKMRCE1
SCHEMBL15390591 0.80 KDM4E (0.50) S1PR4NPSR1KDM4EPKMRCE1
SCHEMBL2349201 0.80 NPSR1 (0.47) S1PR4NPSR1KDM4EPKMRCE1
SCHEMBL238231 0.80 NPSR1 (0.47) S1PR4NPSR1KDM4EPKMRCE1
Lithium Ion SCHEMBL627528 0.79 S1PR4 (0.40) S1PR4KDM4EPKMALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2023-09-19 US disclosed
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2023-09-19 US disclosed
US-9717714-B2 Spirocyclic CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
WO-2017051319-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-03-30 WO disclosed
US-20150342931-A1 SPIROCYCLIC CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-03 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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 (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-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors CDK1, CDKN1A, CDKL1 S1PR4 2154/4885NPSR1 3727/4885KDM4E 1229/4885
US-20150342931-A1 SPIROCYCLIC CETP INHIBITORS CETP, MTTP, LCAT S1PR4 519/4885NPSR1 3225/4885KDM4E 4131/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R S1PR4 278/4885NPSR1 19/4885KDM4E 1115/4885
US-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R S1PR4 1011/4885NPSR1 166/4885KDM4E 373/4885

“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.