Sugi Predict

Sugi Predict / Compounds / SCHEMBL4580976

SCHEMBL4580976

SCHEMBL4580976

Cc1cc(O)n(-c2ccc(C#N)c(Br)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ AR P10275 4/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL14177888 0.87 KDM4E (0.54) KDM4EABCG2ALDH1A1MAPTNPSR1
SCHEMBL31522203 0.76 SLC34A1 (0.47) KDM4EALDH1A1MAPTNPSR1TDP1
SCHEMBL11443476 0.73 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1SMN1; SMN2CYP1A2
SCHEMBL407138 0.73 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL11441588 0.72 CYP1A2 (0.47) ALDH1A1MAPTNPSR1SMN1; SMN2CYP1A2
SCHEMBL28620570 0.72 MAPK1 (0.47) KDM4EALDH1A1MAPTNPSR1TDP1
SCHEMBL4581358 0.71 AR (0.35) AR
SCHEMBL528347 0.70 RAB9A (0.69) KDM4EALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL13902297 0.70 ALDH1A1 (0.50) KDM4EALDH1A1MAPTNPSR1CYP1A2
SCHEMBL31522193 0.70 ALDH1A1 (0.50) KDM4EALDH1A1MAPTNPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 — — US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO claimed
EP-2669274-B1 TOPICAL ANTIFUNGAL AGENT MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-18 — — EP disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 — — US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 — — US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 — — US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 KDM4E 1597/4885ABCG2 394/4885ALDH1A1 440/4885

“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.