SCHEMBL6779325

SCHEMBL6779325

Oc1ccc(-c2ncc3cc(Cl)ccc3c2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ PDPK1 O15530 2/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ ESR2 Q92731 6/20 0.37
▸ ESR1 P03372 5/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ DHODH Q02127 2/20 0.36
▸ ESRRB O95718 1/20 0.36
▸ ESRRA P11474 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL2430190 0.71 NPC1 (0.53) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL18356746 0.69 MAPK1 (0.53) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4032441 0.68 PDPK1 (0.75) PDPK1HSP90AB1ESR1FGFR1FGFR2
SCHEMBL12986756 0.67 MAPK1 (0.42) MAPTKMT2AMEN1PDPK1HSP90AB1
SCHEMBL6777206 0.66 NPC1 (0.55) MAPTSMN1; SMN2ALDH1A1ADORA2AADORA1
SCHEMBL29291190 0.66 TLR8 (0.53) MAPTKMT2AMEN1ALDH1A1ESR2
SCHEMBL4026003 0.65 ESR1 (0.54) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14545342 0.64 CNR1 (0.49) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6541647 0.64 DHODH (0.49) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL6356363 0.63 PTPN22 (0.50) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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
US-6723736-B2 FOR THERAPY INFLAMMATION, INFLAMMATORY DISEASES, IMMUNOLOGIC DISEASES AND OTHER DISEASES MEDIATED BY TUMOR NECROSIS FACTOR-ALPHA (TNF-ALPHA) AND/OR INTERLEUKIN 6 OR 10 AND/OR ENZYME CYCLOOXYGENASE-2 (COX-2) THERACOS, INC. 2004-04-20 — — US claimed
US-20020077333-A1 Tricyclic compounds and uses thereof THERACOS, INC. 2002-06-20 — — US claimed

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-20020077333-A1 Tricyclic compounds and uses thereof IL6, TNF, IL2 MAPT 3486/4885KMT2A 3251/4885MEN1 4082/4885

“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.

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