Sugi Predict

Sugi Predict / Compounds / SCHEMBL1481173

SCHEMBL1481173

SCHEMBL1481173

Cn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccc(Oc3ccc(C(=O)O)c(Br)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.38
▸ MARS1 P56192 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EIF4E P06730 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ CNR1 P21554 3/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAB1 Q9Y478 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
SCHEMBL1481169 1.00 DHODH (0.38) DHODHMARS1KDM4ENPC1CRHBP
SCHEMBL5873689 0.91 PPARA (0.37) DHODHKCNA3PRKAG1PRKAA2PRKAA1
SCHEMBL1480271 0.90 DHODH (0.36) DHODHMARS1KDM4ENPC1CRHBP
SCHEMBL1480268 0.90 DHODH (0.36) DHODHMARS1KDM4ENPC1CRHBP
SCHEMBL5873687 0.85 HDAC3 (0.33) DHODHKCNA3CNR1
SCHEMBL1480387 0.82 DPP4 (0.43) MARS1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1480383 0.82 DPP4 (0.43) MARS1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1481521 0.82 CNR1 (0.39) KCNA3CNR1
SCHEMBL1481396 0.82 CNR1 (0.39) KCNA3CNR1
SCHEMBL1481497 0.81 MAP4K4 (0.42) MARS1MCL1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — US claimed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 — — US claimed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 — — EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 — — WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 — — US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 — — 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ DHODH 568/4885MARS1 3703/4885KDM4E 672/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ DHODH 568/4885MARS1 3703/4885KDM4E 672/4885

“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.