SCHEMBL224447

SCHEMBL224447

CC(=O)N1c2cc(Br)ccc2C(c2ccccc2)CC1(C)N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
BRD4 O60885 1/20 0.36
KIF11 P52732 1/20 0.35
HSD17B3 P37058 2/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34
TSHR P16473 1/20 0.34
FSHR P23945 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL224280 0.91 CYP1A2 (0.36) HCRTR1HCRTR2BRD4HSD17B3CYP1A2
SCHEMBL13312374 0.62 BRD4 (0.44) BRD4KIF11
SCHEMBL6496346 0.61 KMT2A (0.39) BRD4HSD17B3TSHR
SCHEMBL8482798 0.60 NOTUM (0.69) BRD4KIF11HSD17B3CYP1A2LMNA
SCHEMBL16027002 0.60 NOTUM (0.48) KIF11MAPTTP53
SCHEMBL9160614 0.60 KMT2A (0.39) BRD4HSD17B3MAPTTSHRLMNA
SCHEMBL22461274 0.60 KRAS (0.37) KIF11MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL13732741 0.59 MEN1 (0.47) HSD17B3MAPTTSHRFSHRTP53
Ammonia Solution, Strong SCHEMBL11552424 0.59 NOTUM (0.67) BRD4KIF11HSD17B3CYP1A2LMNA
SCHEMBL9162432 0.59 KMT2A (0.40) BRD4HSD17B3TSHRLMNA

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 HCRTR1 1528/4885HCRTR2 2728/4885BRD4 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.