Sugi Predict

Sugi Predict / Compounds / SCHEMBL12134841

SCHEMBL12134841

SCHEMBL12134841

Oc1cccc2c(Cl)nc(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.44
▸ ACHE P22303 1/20 0.43
▸ PARP1 P09874 8/20 0.43
▸ TNKS O95271 7/20 0.43
▸ TNKS2 Q9H2K2 7/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ MAPT P10636 3/20 0.39
▸ METAP2 P50579 3/20 0.39
▸ METAP1 P53582 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ COMT P21964 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL31685067 1.00 CYP1A2 (0.44) CYP1A2ACHEPARP1TNKSTNKS2
SCHEMBL12176078 0.81 PARP1 (0.47) CYP1A2ACHEPARP1TNKSTNKS2
SCHEMBL3242174 0.81 PARP1 (0.47) CYP1A2ACHEPARP1TNKSTNKS2
SCHEMBL29417321 0.79 NR4A2 (0.46) CYP1A2ACHEPARP1MAPTRAB9A
SCHEMBL2916780 0.79 NR4A2 (0.46) CYP1A2ACHEPARP1MAPTRAB9A
SCHEMBL558543 0.76 ENPP3 (0.47) CYP1A2MAPTALDH1A1GAA
SCHEMBL8225421 0.76 PARP1 (0.37) CYP1A2PARP1TNKSTNKS2KDM4E
SCHEMBL21230724 0.76 KDM4E (0.32) CYP1A2KDM4EALDH1A1
SCHEMBL21230612 0.76 PSMD14 (0.39) CYP1A2LMNA
SCHEMBL1992328 0.76 ELANE (0.44) CYP1A2PARP1TNKSTNKS2KDM4E

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
EP-4617262-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyoto University (JP) 2025-09-17 — — EP disclosed
WO-2024101336-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 国立大学法人京都大学 2024-05-16 — — WO disclosed
WO-2024101336-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 国立大学法人京都大学 2024-05-16 — — WO disclosed
US-8865708-B2 Methods and compositions for inhibition of the transitional endoplasmic reticulum ATPase CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-21 — — US disclosed
US-8865708-B2 Methods and compositions for inhibition of the transitional endoplasmic reticulum ATPase CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-21 — — US disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 — — US disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 — — 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-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE VCP, PSMG3, PSMB3 CYP1A2 2624/4885ACHE 4064/4885PARP1 3497/4885

“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.