SCHEMBL936227

SCHEMBL936227

O=[N+]([O-])c1cccc(-c2ccccc2)c1.[N-]=[N+]=[N-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NFE2L2 Q16236 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ HDAC2 Q92769 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ PTPRC P08575 1/20 0.49
▸ TP53 P04637 1/20 0.49

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
SCHEMBL936230 0.93 NPC1 (0.54) LMNATSHRNPC1ALDH1A1RAB9A
SCHEMBL2009026 0.92 TSHR (0.67) LMNATSHRNPC1ALDH1A1RAB9A
SCHEMBL29526232 0.92 TSHR (0.67) LMNATSHRNPC1ALDH1A1RAB9A
Iodide SCHEMBL27148619 0.90 TSHR (0.64) LMNATSHRNPC1ALDH1A1RAB9A
SCHEMBL30469335 0.90 TSHR (0.64) LMNATSHRNPC1ALDH1A1RAB9A
SCHEMBL7838339 0.90 LMNA (0.64) LMNATSHRNPC1ALDH1A1RAB9A
SCHEMBL6804031 0.90 TSHR (0.64) LMNATSHRNPC1ALDH1A1RAB9A
Formaldehyde SCHEMBL28138818 0.89 TSHR (0.61) LMNATSHRNPC1ALDH1A1RAB9A
Dinitrophenylene SCHEMBL27704073 0.86 TSHR (0.77) LMNATSHRNPC1ALDH1A1RAB9A
SCHEMBL6738366 0.86 TSHR (0.76) LMNATSHRNPC1ALDH1A1RAB9A

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
WO-2011009934-A1 TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM. INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2011-01-27 — — WO disclosed
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 — — 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-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 LMNA 4798/4885TSHR 860/4885NPC1 3576/4885

“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.

Send feedback