SCHEMBL9982680

SCHEMBL9982680

N=c1n(Cc2ccccc2Cl)c2ccccc2n1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 6/20 0.49
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MITF O75030 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHRM1 P11229 2/20 0.42
▸ OPRM1 P35372 4/20 0.42
▸ TSHR P16473 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL9982895 0.86 C5AR1 (0.42) C5AR1MAPTL3MBTL1LMNAPOLB
SCHEMBL9982413 0.85 C5AR1 (0.43) C5AR1MAPTL3MBTL1LMNAPOLB
SCHEMBL9982723 0.84 C5AR1 (0.51) C5AR1MAPTALDH1A1CHRM1OPRM1
SCHEMBL9983006 0.81 C5AR1 (0.49) C5AR1MAPTALDH1A1MITFKMT2A
SCHEMBL12067691 0.80 C5AR1 (0.47) C5AR1MAPTLMNAALDH1A1KMT2A
SCHEMBL27909302 0.78 MAPT (0.52) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL9982749 0.76 C5AR1 (0.42) C5AR1MAPTALDH1A1MITFKMT2A
SCHEMBL12069072 0.74 C5AR1 (0.50) C5AR1MAPTLMNAALDH1A1KMT2A
SCHEMBL9982630 0.74 C5AR1 (0.56) C5AR1ALDH1A1CHRM1OPRM1TSHR
SCHEMBL9982715 0.73 C5AR1 (0.42) C5AR1MAPTLMNAPOLBALDH1A1

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 3 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
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 C5AR1 1212/4885MAPT 3004/4885L3MBTL1 4284/4885

“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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