SCHEMBL3525924

SCHEMBL3525924

CC(=O)N1c2cc(O)c(NC(=O)c3cc(Br)cc(Br)c3)cc2C(c2ccccc2)C(C)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNMA1 Q12791 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
ABL1 P00519 1/20 0.33
TSHR P16473 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
FSHR P23945 2/20 0.33
CREBBP Q92793 1/20 0.32
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL4367941 0.71 FSHR (0.64) MEN1KMT2ATSHRFSHR
SCHEMBL3523939 0.61 FSHR (0.62) MEN1KMT2ATSHRFSHR
SCHEMBL3529295 0.60 FSHR (0.68) MEN1KMT2AMAPTTSHRFSHR
SCHEMBL12510751 0.60 HDAC1 (0.67) GAANPC1RAB9AKCNMA1MEN1
SCHEMBL1323381 0.59 FSHR (0.77) MEN1KMT2ATSHRFSHR
SCHEMBL3528406 0.59 LMNA (0.42) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24118803 0.59 MEN1 (0.62) MEN1KMT2ATP53HDAC1HDAC2
SCHEMBL2194197 0.58 FSHR (0.82) MEN1KMT2ATSHRFSHR
SCHEMBL16396581 0.58 NR1H4 (0.60) ALDH1A1
SCHEMBL5178629 0.58 HDAC1 (0.69) GAANPC1RAB9AKCNMA1MEN1

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-7858794-B2 Tetrahydroquinoline derivatives N.V. ORGANON (NL) 2010-12-28 US disclosed
US-20060142334-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2006-06-29 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-20060142334-A1 Tetrahydroquinoline derivatives GNRHR, KCNH3, HCAR3 GAA 4531/4885ALDH1A1 1133/4885NPC1 1512/4885

“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.