SCHEMBL224280

SCHEMBL224280

CC(=O)N1c2ccc(Br)cc2C(c2ccccc2)CC1(C)N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.36
FSHR P23945 1/20 0.36
BRD4 O60885 1/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B3 P37058 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL224447 0.91 HCRTR1 (0.36) CYP1A2CYP2C9CYP2C19TSHRFSHR
SCHEMBL6496346 0.69 KMT2A (0.39) TSHRBRD4ALDH1A1HSD17B3MEN1
SCHEMBL9160614 0.68 KMT2A (0.39) TSHRBRD4GAAALDH1A1LMNA
SCHEMBL9162432 0.67 KMT2A (0.40) TSHRBRD4ALDH1A1LMNAHSD17B3
SCHEMBL31693867 0.65 RORC (0.47) CYP1A2CYP2C19TSHR
SCHEMBL6496004 0.64 ALDH1A1 (0.49) TSHRBRD4GAAALDH1A1MEN1
SCHEMBL22461274 0.62 KRAS (0.37) CYP1A2CYP2C9CYP2C19TSHRGAA
SCHEMBL4116338 0.62 SMN1; SMN2 (0.47) TSHRLMNAMEN1KMT2A
SCHEMBL11272554 0.60 TP53 (0.45) GAAALDH1A1LMNATP53MEN1
SCHEMBL13312374 0.59 BRD4 (0.44) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 CYP1A2 2178/4885CYP2C9 3116/4885CYP2C19 3325/4885

“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.