SCHEMBL12514844

SCHEMBL12514844

CN1CC2CC1CC2NOCc1n[nH]c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 5/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ KDM4E B2RXH2 5/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ YTHDC1 Q96MU7 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL12844350 0.81 DYRK1A (0.35) —
SCHEMBL12844356 0.81 TRPA1 (0.38) —
SCHEMBL12843967 0.79 CHEK1 (0.36) —
SCHEMBL12843966 0.78 P2RX3 (0.35) —
SCHEMBL12844346 0.78 HAO1 (0.33) —
SCHEMBL12844071 0.78 GSK3B (0.39) —
SCHEMBL12844169 0.78 HAO1 (0.30) —
SCHEMBL2089327 0.76 CHRNA7 (0.64) CHRNA7HTR3AKDM4ESMN1; SMN2YTHDC1
SCHEMBL2086156 0.67 CHRNA7 (0.64) CHRNA7HTR3AKDM4ESMN1; SMN2YTHDC1
SCHEMBL12441910 0.67 CHRNA7 (0.64) CHRNA7HTR3AKDM4ESMN1; SMN2YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — 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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 CHRNA7 1/4885HTR3A 61/4885KDM4E 3465/4885

“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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