SCHEMBL3507150

SCHEMBL3507150

O=C(NCc1cn(-c2ccc(N3CCCCC3=O)cc2)nc1-c1ccncc1)c1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.49
F2 P00734 2/20 0.49
MAPT P10636 1/20 0.42
ABCB11 O95342 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41

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
SCHEMBL8225098 0.93 F10 (0.50) F10F2MAPT
SCHEMBL8225103 0.91 F10 (0.47) F10F2
Hydrochloric Acid SCHEMBL3508737 0.90 F10 (0.46) F10F2
SCHEMBL8230562 0.88 F10 (0.60) F10F2ABCB11ST14
SCHEMBL3246184 0.87 F10 (0.38) F10F2MAPT
Hydrochloric Acid SCHEMBL3506415 0.87 F10 (0.59) F10F2ABCB11ST14
SCHEMBL13271874 0.82 F10 (0.48) F10F2
SCHEMBL3510008 0.80 F10 (0.65) F10F2ABCB11ST14
SCHEMBL1095716 0.80 F10 (0.56) F10F2MAPT
SCHEMBL8225130 0.79 F10 (0.59) F10F2ABCB11ST14

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 8 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
EP-2029546-B1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-28 EP 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 229/4885F2 30/4885MAPT 4860/4885

“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.