Sugi Predict

Sugi Predict / Compounds / SCHEMBL6864247

SCHEMBL6864247

SCHEMBL6864247

CC(C)(c1ccc(Cl)cc1)c1cc(N=Nc2cc(Cl)ccc2[N+](=O)[O-])c(O)c(C(C)(C)c2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.44
▸ MAPK1 P28482 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ POLB P06746 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ PDE7A Q13946 5/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ PADI4 Q9UM07 1/20 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
SCHEMBL6864246 1.00 GPR35 (0.44) GPR35MAPK1TSHRLMNAPOLB
SCHEMBL6862903 0.94 GPR35 (0.37) GPR35MAPK1TSHRLMNAPOLB
SCHEMBL6862899 0.94 GPR35 (0.37) GPR35MAPK1TSHRLMNAPOLB
SCHEMBL6862445 0.92 MAPT (0.39) GPR35MAPK1TSHRLMNAPOLB
SCHEMBL6862449 0.92 MAPT (0.39) GPR35MAPK1TSHRLMNAPOLB
SCHEMBL9866027 0.85 KMT2A (0.40) GPR35MAPK1TSHRLMNAPOLB
SCHEMBL9327604 0.85 KMT2A (0.40) GPR35MAPK1TSHRLMNAPOLB
SCHEMBL9180496 0.85 GPR35 (0.42) GPR35MAPK1LMNAPOLBMAPT
SCHEMBL6860536 0.85 NPC1 (0.41) GPR35MAPK1MAPTMEN1KMT2A
SCHEMBL6860541 0.85 NPC1 (0.41) GPR35MAPK1MAPTMEN1KMT2A

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 GPR35 2057/4885MAPK1 4301/4885TSHR 4042/4885

“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.