SCHEMBL13061840

SCHEMBL13061840

Cc1cccc(NC(=O)CCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.84
NPC1 O15118 2/20 0.84
POLB P06746 1/20 0.84
MAPT P10636 6/20 0.79
GAA P10253 2/20 0.79
ALDH1A1 P00352 4/20 0.76
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
RECQL P46063 1/20 0.76
HTT P42858 1/20 0.71
ALOX15 P16050 1/20 0.68
HPGD P15428 1/20 0.67
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62

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
SCHEMBL23652963 0.85 MAPT (0.79) RAB9ANPC1POLBMAPTGAA
SCHEMBL13676147 0.85 RAB9A (0.62) RAB9ANPC1POLBMAPTGAA
SCHEMBL259620 0.84 ALDH1A1 (0.76) RAB9ANPC1POLBMAPTGAA
Methyl Alcohol SCHEMBL4593446 0.84 MAPT (0.93) RAB9AMAPTGAAALDH1A1KMT2A
SCHEMBL3061430 0.84 MAPT (1.00) RAB9AMAPTGAAKMT2AMEN1
SCHEMBL259380 0.83 HDAC3 (0.68) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL31611777 0.83 HDAC3 (0.68) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL1471759 0.83 MAPT (0.77) RAB9ANPC1MAPTGAAALDH1A1
SCHEMBL13389060 0.83 MAPT (0.77) RAB9ANPC1POLBMAPTGAA
Hydrochloric Acid SCHEMBL27689202 0.82 MAPT (0.96) RAB9AMAPTGAAKMT2AMEN1

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
CN-111217694-B Method for selectively reducing carbon-carbon double bond in alpha, beta-unsaturated carbonyl compound 五邑大学 2022-09-30 CN disclosed
CN-111217694-A method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound 五邑大学 2020-06-02 CN disclosed
EP-2220052-B1 CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-03-25 EP disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
WO-2009061498-A1 CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-05-14 WO 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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 RAB9A 3763/4885NPC1 530/4885POLB 1831/4885

“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.