SCHEMBL222791

SCHEMBL222791

CC(=O)N1c2ccccc2[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 5/20 0.41
NOTUM Q6P988 1/20 0.40
BRD2 P25440 2/20 0.40
BRD3 Q15059 2/20 0.40
P2RY1 P47900 1/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL223427 1.00 KDM4E (0.43) KDM4EMAPTBRD4NOTUMBRD2
SCHEMBL223888 0.86 NOTUM (0.48) BRD4NOTUMBRD2BRD3PTGDR2
SCHEMBL222196 0.86 NOTUM (0.48) BRD4NOTUMBRD2BRD3PTGDR2
SCHEMBL223887 0.86 NOTUM (0.48) BRD4NOTUMBRD2BRD3PTGDR2
SCHEMBL222205 0.85 BRD4 (0.45) BRD4NOTUMBRD2BRD3PTGDR2
SCHEMBL222206 0.85 BRD4 (0.45) BRD4NOTUMBRD2BRD3PTGDR2
SCHEMBL222207 0.85 BRD4 (0.45) BRD4NOTUMBRD2BRD3PTGDR2
SCHEMBL15890945 0.84 KDM4E (0.44) KDM4EMAPTBRD4BRD2BRD3
SCHEMBL224909 0.84 BRD4 (0.44) BRD4NOTUMBRD2BRD3PTGDR2
SCHEMBL222198 0.84 BRD4 (0.44) BRD4NOTUMBRD2BRD3PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045423-B2 Prophylactic and/or therapeutic agent for anemia comprising tetrahydroquinoline compound as active ingredient KOWA COMPANY, LTD. (JP) 2015-06-02 US disclosed
US-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2014-09-04 US disclosed
US-8791090-B2 Prophylactic and/or therapeutic agent for anemia comprising tetrahydroquinoline compound as active ingredient KOWA COMPANY, LTD. (JP) 2014-07-29 US disclosed
EP-2415764-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2012-02-08 EP disclosed
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2012-01-05 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 (2 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-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 KDM4E 1814/4885MAPT 4876/4885BRD4 861/4885
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 KDM4E 1814/4885MAPT 4876/4885BRD4 861/4885

“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.