Sugi Predict

Sugi Predict / Compounds / SCHEMBL6861261

SCHEMBL6861261

SCHEMBL6861261

CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccc(OCCBr)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ POLB P06746 4/20 0.34
▸ ACKR3 P25106 2/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL7655370 0.92 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6862331 0.91 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6855667 0.85 HTT (0.45) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6860452 0.85 HPGD (0.47) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7521571 0.82 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL1499910 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6860552 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL7521872 0.78 HPGD (0.46) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL5510301 0.78 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL29708 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 — — US disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 — — EP disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 — — US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 — — US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 — — 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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 NPC1 4353/4885RAB9A 4479/4885SMN1; SMN2 2918/4885

“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.