Sugi Predict

Sugi Predict / Compounds / SCHEMBL6861725

SCHEMBL6861725

SCHEMBL6861725

O=C(N1CCc2ccc(S(=O)(=O)N[C@H]3CC[C@@H](Nc4ccnc5cc(Cl)ccc45)CC3)cc2C1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT5B Q4FZB7 1/20 0.45
▸ KMT5C Q86Y97 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NSD2 O96028 1/20 0.43
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CNR1 P21554 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TYRO3 Q06418 3/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL6861722 1.00 CYP2D6 (0.45) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6865821 0.78 KMT5B (0.66) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6865817 0.78 KMT5B (0.66) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6872815 0.78 KMT5B (0.57) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6872817 0.78 KMT5B (0.57) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6868463 0.77 KMT5B (0.60) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6868465 0.77 KMT5B (0.60) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6873010 0.77 KMT5B (0.57) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6873014 0.77 KMT5B (0.57) CYP2D6CYP2C19KMT5BKMT5CKDM4E
SCHEMBL6869315 0.77 KMT5B (0.54) CYP2D6CYP2C19KMT5BKMT5CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 — — US claimed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 — — US claimed
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 — — US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 — — 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-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R CYP2D6 2623/4885CYP2C19 2570/4885KMT5B 1214/4885

“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.