Sugi Predict

Sugi Predict / Compounds / SCHEMBL5951406

SCHEMBL5951406

SCHEMBL5951406

Oc1ccc(Br)c(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ FFAR1 O14842 1/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.48
▸ MAOB P27338 1/20 0.46
▸ LIPE Q05469 1/20 0.46
▸ MAPT P10636 5/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GAA P10253 4/20 0.45

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
SCHEMBL31444115 1.00 LMNA (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL528926 0.86 RAB9A (0.61) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4434864 0.84 SLC6A4 (0.56) LMNARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL29721165 0.83 SLC2A1 (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8728948 0.83 SLC2A1 (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL30296039 0.83 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2FFAR1FFAR4MAOB
SCHEMBL2391164 0.83 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2FFAR1FFAR4MAOB
SCHEMBL15476522 0.82 CYP1A2 (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL615020 0.82 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL30628889 0.82 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 — — EP claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 — — WO claimed
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 — — EP disclosed
EP-3137469-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2019-10-09 — — EP disclosed
US-9745317-B2 Heterocyclic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-08-29 — — US disclosed
EP-3137469-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc. (US) 2017-03-08 — — EP disclosed
US-20170044174-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-16 — — US disclosed
WO-2015166366-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-11-05 — — WO disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 — — US disclosed
US-4921994-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1990-05-01 — — US disclosed
US-4831059-A ANTIEMETICS; DIARRHEA; CENTRAL NERVOUS SYSTEM PFIZER INC. (US) 1989-05-16 — — US disclosed
US-4391827-A 3-(2-Hydroxy-4-(substituted)phenyl)-cycloalkanone and cycloalkanol analgesic agents and intermediates therefor PFIZER INC. (US) 1983-07-05 — — US disclosed
US-4387229-A ANALGESICS, TRANQUILIZERS, SEDATIVES PFIZER INC. (US) 1983-06-07 — — US disclosed
US-4371720-A ANTIDIARRHEALS, ANTIEMETICS PFIZER INC. (US) 1983-02-01 — — US disclosed
US-4332942-A 3-(2-Hydroxy-4-(substituted)phenyl)azacycloalkanes as analgesics PFIZER, INC. (US) 1982-06-01 — — US disclosed
US-4306097-A 3-[2-Hydroxy-4-(substituted)phenyl]-cycloalkanol analgesic agents PFIZER INC. (US) 1981-12-15 — — US disclosed
US-4284829-A Hydroxyalkyl and oxoalkyl substituted phenols as analgesics and sedatives PFIZER INC. (US) 1981-08-18 — — US disclosed
US-4283569-A Hydroxyalkyl and oxoalkyl substituted phenols as analgesics and sedatives PFIZER INC. (US) 1981-08-11 — — US disclosed
US-4263438-A 3-[2,4-(Disubstituted)-phenyl]azacycloalkanones as analgesics PFIZER INC. (US) 1981-04-21 — — US disclosed
US-4147872-A 3-[2-Hydroxy-4-(substituted)-phenyl]azacycloalkanes and derivatives thereof as analgesic agents and intermediates therefor PFIZER INC. (US) 1979-04-03 — — 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 (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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 LMNA 4255/4885CYP1A2 2909/4885PTGS1 2545/4885
US-20170044174-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 LMNA 3708/4885CYP1A2 190/4885PTGS1 1726/4885

“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.