Sugi Predict

Sugi Predict / Compounds / SCHEMBL177095

SCHEMBL177095

SCHEMBL177095

COc1ccc(CBr)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MCOLN3 Q8TDD5 1/20 0.44

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
SCHEMBL29495085 1.00 ALDH1A1 (0.51) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3576116 0.89 ALDH1A1 (0.51) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL5050095 0.87 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL30293228 0.87 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3823448 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL28712089 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL5233562 0.84 NPC1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9106557 0.84 HTR2A (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3722104 0.84 MAPT (0.59) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL5219494 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888285-B1 ANTIBODIES TO ARIPIPRAZOLE HAPTENS AND USE THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-17 — — EP disclosed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 — — US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 — — EP disclosed
CN-109970637-B Aripiprazole hapten and application thereof in immunoassay 詹森药业有限公司 2022-04-19 — — CN disclosed
CN-108484496-B Aripiprazole hapten and application thereof in immunoassay 詹森药业有限公司 2022-03-22 — — CN disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
EP-3321254-B1 HAPTENS OF ARIPIPRAZOLE AND THEIR USE IN IMMUNOASSAYS JANSSEN PHARMACEUTICA NV (BE) 2020-08-12 — — EP disclosed
EP-3321254-B1 HAPTENS OF ARIPIPRAZOLE AND THEIR USE IN IMMUNOASSAYS JANSSEN PHARMACEUTICA NV (BE) 2020-08-12 — — EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 — — WO disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 — — US disclosed
US-5696145-A VASOPRESSIN AND OXYTOCIN RECEPTOR SANOFI (FR) 1997-12-09 — — US disclosed
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 — — US disclosed
US-5618833-A USEFUL FOR TREATING OR PREVENTING VASOPRESSIN OR OXYTOCIN DEPENDANT COMPLAINTS SANOFI (FR) 1997-04-08 — — US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 — — US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 — — EP disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 — — EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 — — WO disclosed
EP-0636609-A1 1-Benzyl-1,3-dihydro-indol-2-one derivatives, their preparation, the pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 — — EP 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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 150/4885MAPK1 2087/4885SMN1; SMN2 2662/4885

“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.