SCHEMBL3510008

SCHEMBL3510008

O=C(NCc1cn(-c2ccc(N3CCOCC3=O)cc2)nc1-c1ccccc1)c1ccc(Cl)s1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.65
ABCB11 O95342 1/20 0.56
F2 P00734 1/20 0.56
ST14 Q9Y5Y6 1/20 0.56
PTGS2 P35354 1/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL8230562 0.93 F10 (0.60) F10ABCB11F2ST14PTGS2
Hydrochloric Acid SCHEMBL3506415 0.92 F10 (0.59) F10ABCB11F2ST14PTGS2
SCHEMBL8225130 0.91 F10 (0.59) F10ABCB11F2ST14PTGS2
Hydrochloric Acid SCHEMBL3507990 0.91 F10 (0.58) F10ABCB11F2ST14PTGS2
SCHEMBL3508052 0.89 F10 (0.55) F10ABCB11F2ST14
SCHEMBL8225098 0.88 F10 (0.50) F10F2CYP3A4CYP2C9
SCHEMBL8229199 0.88 F10 (0.49) F10ABCB11F2ST14CYP3A4
SCHEMBL3238076 0.87 F10 (0.49) F10ABCB11F2ST14PTGS2
Hydrochloric Acid SCHEMBL1001890 0.87 F10 (0.49) F10ABCB11F2ST14CYP3A4
SCHEMBL4908953 0.85 F10 (0.61) F10ABCB11F2ST14PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 US disclosed
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 US disclosed
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 US disclosed
WO-2007137791-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 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-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF AHR, CYP2C19, PAH F10 229/4885ABCB11 427/4885F2 30/4885

“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.