SCHEMBL14287201

SCHEMBL14287201

CN1CCc2c(Br)cc([N+](=O)[O-])c(NC(=O)CCl)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
XBP1 P17861 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6780170 0.86 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL6790298 0.82 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL6790290 0.77 MAPT (0.41) ALDH1A1KDM4EMAPK1HTTLMNA
SCHEMBL6785526 0.75 GRIA1 (0.48) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6783704 0.75 KDM4E (0.36) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7983678 0.74 BAZ2B (0.41) ALDH1A1KDM4EMAPK1LMNARAB9A
SCHEMBL14287202 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EHTTLMNARAB9A
SCHEMBL6784062 0.72 GRIA1 (0.48) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6785621 0.71 GAA (0.38) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6790546 0.70 GRIA1 (0.45) ALDH1A1GRIA1GRIA2GRIA3GRIA4

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-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 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-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 ALDH1A1 4554/4885GRIA1 320/4885GRIA2 244/4885

“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.