SCHEMBL9260723

SCHEMBL9260723

CC(C)(C)c1cc(-n2nc3cc(Cl)c(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CA2 P00918 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ XBP1 P17861 1/20 0.33

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
SCHEMBL22080832 0.87 HSP90AA1 (0.39) NPC1RAB9AHSP90AA1SMN1; SMN2CYP2C9
SCHEMBL29349567 0.86 NPC1 (0.41) NPC1RAB9AHSP90AA1CYP2C9CYP2C19
SCHEMBL29241 0.86 NPC1 (0.41) NPC1RAB9AHSP90AA1CYP2C9CYP2C19
SCHEMBL9266071 0.85 HSP90AA1 (0.38) NPC1RAB9AHSP90AA1SMN1; SMN2CYP2C9
SCHEMBL3538222 0.85 HSP90AA1 (0.38) NPC1RAB9AHSP90AA1SMN1; SMN2CYP2C9
SCHEMBL2549440 0.85 NPC1 (0.55) NPC1RAB9ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL712969 0.84 NPC1 (0.38) NPC1RAB9AHSP90AA1SMN1; SMN2CYP2C9
SCHEMBL29706577 0.84 NPC1 (0.38) NPC1RAB9AHSP90AA1SMN1; SMN2CYP2C9
SCHEMBL29708 0.84 NPC1 (0.49) NPC1RAB9AHSP90AA1SMN1; SMN2CYP2C9
SCHEMBL22080762 0.84 HSP90AA1 (0.39) NPC1RAB9AHSP90AA1SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2022-01-20 — — US disclosed
WO-2020114936-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2020-06-11 — — WO disclosed
US-5410071-A Sulfiding with a thiophenolic compound or a thiophenolate in a polar solvent to form a stabilizers for polyphenylene sulfide against UV radiation PHILLIPS PETROLEUM COMPANY (US) 1995-04-25 — — US disclosed
US-5319091-A Contacting sulfur-containing aromatic compound with hydroxyphenylbenzotriazole derivative in presence of polar organic compound, oxidizing formed aryl sulfide derivative to sulfone, sulfoxide or mixtures PHILLIPS PETROLEUM COMPANY (US) 1994-06-07 — — US disclosed
EP-0599269-A1 Compositions comprising sulfur-containing derivatives of hydroxyphenylbenzotriazole and process therefor PHILLIPS PETROLEUM COMPANY (US) 1994-06-01 — — EP disclosed
US-5274015-A And a polyarylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1993-12-28 — — US disclosed
US-5268450-A Reating sodium hydrosulfide with a sulfur containing hydroxyphenylbenztriazole PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 — — 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-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS GABBR1, GABBR2, SULT2A1 NPC1 2446/4885RAB9A 4723/4885HSP90AA1 2658/4885

“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