SCHEMBL4078173

SCHEMBL4078173

NCC1(CO)CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 1/20 0.54
CACNA2D1 P54289 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A3 Q01959 3/20 0.30
SLC6A4 P31645 2/20 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
SCHEMBL1928279 1.00 USP2 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4079340 1.00 USP2 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL9229306 0.97 USP2 (0.52) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2283858 0.97
SCHEMBL290618 0.92
SCHEMBL290856 0.85
Hydrochloric Acid SCHEMBL15398546 0.82
SCHEMBL302071 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4874234 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL22444527 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 EP disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 WO disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP 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 (2 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 USP2 4230/4885ALDH1A1 719/4885LMNA 3293/4885
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 USP2 4442/4885ALDH1A1 1571/4885LMNA 2456/4885

“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.