SCHEMBL2264127

SCHEMBL2264127

C=C(C)C(=O)Nc1ccc(C)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.55
▸ NPC1 O15118 8/20 0.55
▸ SMN1; SMN2 Q16637 7/20 0.55
▸ MAPT P10636 6/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ PKM P14618 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ AHR P35869 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL5082956 0.83 KMT2A (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31435389 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL420721 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL1703978 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14354726 0.78 KCNMA1 (0.55) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14400453 0.77 HPGD (0.70) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL30336705 0.77 HPGD (0.70) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL29004445 0.77 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL1813969 0.76 TDP1 (0.43) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12598438 0.75 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 — — US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 — — 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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH RAB9A 2429/4885NPC1 1318/4885SMN1; SMN2 4046/4885

“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.

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