SCHEMBL224468

SCHEMBL224468

CC(=O)N1c2ccc(N3CCOCC3)cc2C(OC(=O)c2ccccc2)CC1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.46
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKDC P78527 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
BRD4 O60885 4/20 0.44
BRD2 P25440 4/20 0.44
BRD3 Q15059 4/20 0.44
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
KMO O15229 1/20 0.41
POLB P06746 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
SCHEMBL224467 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAMAPTNPSR1
SCHEMBL15890840 0.81 SMN1; SMN2 (0.58) SMN1; SMN2TSHRLMNAMAPTNPSR1
SCHEMBL221281 0.79 PRKDC (0.48) LMNAMAPTMEN1KMT2APRKDC
SCHEMBL223154 0.79 PRKDC (0.48) LMNAMAPTMEN1KMT2APRKDC
SCHEMBL223027 0.79 BRD4 (0.41) SMN1; SMN2TSHRMAPTMEN1KMT2A
SCHEMBL224535 0.79 TNF (0.44) SMN1; SMN2LMNAMAPTPRKDCBRD4
SCHEMBL220841 0.79 TNF (0.44) SMN1; SMN2LMNAMAPTPRKDCBRD4
SCHEMBL15890948 0.79 BRD4 (0.41) SMN1; SMN2TSHRMAPTMEN1KMT2A
SCHEMBL224689 0.79 BRD4 (0.41) SMN1; SMN2TSHRMAPTMEN1KMT2A
SCHEMBL5836452 0.78 BRD4 (0.67) BRD4BRD2BRD3

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 SMN1; SMN2 2091/4885TSHR 806/4885LMNA 4334/4885
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 SMN1; SMN2 2091/4885TSHR 806/4885LMNA 4334/4885

“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.