Sugi Predict

Sugi Predict / Compounds / SCHEMBL2775458

SCHEMBL2775458

SCHEMBL2775458

Nc1n[n+]([O-])c2cc(Cl)ccc2[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32

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
SCHEMBL6086171 0.79 MEN1 (0.35) TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL15024662 0.79 BACE1 (0.32) ALDH1A1BACE1
Tirapazamine SCHEMBL4048 0.75 CA12 (0.39) —
SCHEMBL10612505 0.75 CRHBP (0.44) CYP3A4ALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL2780344 0.73 G6PD (0.39) ALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL5118708 0.73 AAK1 (0.39) CYP3A4PIK3CG
SCHEMBL9616579 0.71 MAPT (0.32) —
SCHEMBL15008668 0.71 CA12 (0.36) ALDH1A1ALOX15SMN1; SMN2GABRPGABRD
SCHEMBL15008857 0.70 RIPK1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL781743 0.70 PIK3CG (0.47) ALDH1A1ALOX15SMN1; SMN2HTR3EHTR3B

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-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 — — US disclosed
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 — — US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 — — US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 — — US disclosed
EP-1723125-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES Auckland Uniservices Limited (NZ) 2006-11-22 — — EP disclosed
WO-2005082867-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES AUCKLAND UNISERVICES LIMITED (NZ) 2005-09-09 — — 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-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 TSHR 1512/4885CYP3A4 308/4885ALDH1A1 1013/4885

“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.