SCHEMBL9982859

SCHEMBL9982859

CC(=O)Nc1ccc(C)cc1N1CCC(Nc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.48
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HCAR3 P49019 3/20 0.43
▸ DCTPP1 Q9H773 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH3A1 P30838 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CSF1R P07333 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
SCHEMBL9982909 0.84 GAA (0.43) MAPK1MAPTLMNAALDH1A1POLB
SCHEMBL9986348 0.82 MAPK1 (0.48) MAPK1MAPTLMNADCTPP1PKM
SCHEMBL9982465 0.78 MAPT (0.55) MAPK1MAPTLMNASMN1; SMN2DCTPP1
SCHEMBL16407599 0.76 MAPK1 (0.60) MAPK1MAPTLMNASMN1; SMN2HCAR3
SCHEMBL9982871 0.74 KMT2A (0.43) MAPK1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL29796313 0.73 ALDH1A1 (0.54) MAPK1MAPTLMNASMN1; SMN2HCAR3
SCHEMBL3950396 0.73 HCAR3 (0.57) MAPK1MAPTLMNASMN1; SMN2HCAR3
SCHEMBL13547430 0.73 MAPK1 (0.66) MAPK1MAPTHCAR3PKMRAB9A
SCHEMBL8792880 0.72 POLB (0.52) MAPK1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL3992132 0.72 MAPK1 (0.65) MAPK1MAPTHCAR3DCTPP1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582681-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 — — EP disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US disclosed
CN-102947275-A Piperidinyl-substituted 1, 3-dihydro-benzimidazol-2-ylideneamine derivatives NOVARTIS AG 2013-02-27 — — CN disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 — — 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-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 MAPK1 444/4885MAPT 3004/4885LMNA 1738/4885

“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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