SCHEMBL2820079

SCHEMBL2820079

CC(C)(CCl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 7/20 0.45
POLB P06746 1/20 0.45
HSD11B1 P28845 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 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
SCHEMBL6223902 0.82 ALDH1A1 (0.54) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL428785 0.81 ALDH1A1 (0.49) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL394201 0.81 LOXL2 (0.52) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL8743939 0.81 SHBG (0.52) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL21008398 0.79 ALDH1A1 (0.50) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL22540967 0.79 ALDH1A1 (0.47) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL7165155 0.78 SHBG (0.42) HSD17B10MAPTLMNANPC1HTT
SCHEMBL2817033 0.78 ALDH1A1 (0.50) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL2813687 0.78 LOXL2 (0.48) HSD17B10ACHEALDH1A1POLBHSD11B1
SCHEMBL426201 0.78 HSD17B10 (0.44) HSD17B10ACHEALDH1A1POLBHSD11B1

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG HSD17B10 3064/4885ACHE 1629/4885ALDH1A1 1769/4885

“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.