SCHEMBL223531

SCHEMBL223531

CC(=O)N1c2ccc(F)cc2C(=O)CC1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 3/20 0.43
ACHE P22303 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KIF11 P52732 2/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL20288980 0.83 NOTUM (0.47) NOTUMKDM4EMAPTBRD4KMT2A
SCHEMBL15890864 0.82 NOTUM (0.46) NOTUMKDM4EMAPTBRD4RAB9A
SCHEMBL15890863 0.82 NOTUM (0.46) NOTUMKDM4EMAPTBRD4RAB9A
SCHEMBL32673424 0.81 NOTUM (0.62) NOTUMKDM4EMAPTKMT2AALDH1A1
SCHEMBL225187 0.81 LMNA (0.50) NOTUMKDM4EMAPTBRD4ACHE
SCHEMBL221250 0.79 NOTUM (0.64) NOTUMKDM4EMAPTBRD4ALDH1A1
SCHEMBL5835789 0.79 NOTUM (0.64) NOTUMKDM4EMAPTBRD4ALDH1A1
SCHEMBL10588015 0.78 ACHE (0.44) ACHEKMT2AALDH1A1NPC1HTT
SCHEMBL221901 0.76 ALDH1A1 (0.46) NOTUMMAPTALDH1A1HTTTP53
SCHEMBL224655 0.76 ALDH1A1 (0.46) NOTUMMAPTALDH1A1HTTTP53

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 NOTUM 4125/4885KDM4E 1814/4885MAPT 4876/4885
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 NOTUM 4125/4885KDM4E 1814/4885MAPT 4876/4885

“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.