SCHEMBL5172016

SCHEMBL5172016

c1c[nH]c(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 4/20 0.57
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
KDR P35968 2/20 0.50
CHEK1 O14757 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP19A1 P11511 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL29631691 0.85 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL374022 0.85 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL6081315 0.78 CYP19A1 (0.60) CHEK1CYP19A1ITKESR1
SCHEMBL6081220 0.78 MEN1 (0.60) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL935681 0.77 KDR (0.65) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5053299 0.74 NPC1 (0.87) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5051826 0.74 KDR (0.68) RAB9ANPC1KDM4EMAPTMEN1
Phosphoric Acid SCHEMBL7651467 0.73 RAB9A (0.59) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL7194943 0.73 KDR (0.56) RAB9ANPC1KDM4EMAPTMEN1
Methane SCHEMBL28704887 0.72 KDR (0.66) RAB9ANPC1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107619391-B Heterocyclic compound and organic light-emitting device including the same 三星显示有限公司 2022-08-05 CN claimed
US-20030087949-A1 Indolylpyrrole derivatives and cell death inhibitors SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-05-08 US claimed
EP-1275646-A1 INDOLYLPYRROLE DERIVATIVES AND CELL DEATH INHIBITORS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-01-15 EP claimed
CN-112533930-B Organometallic complexes, polymers, mixtures, compositions, and organic electronic devices comprising the same 广州华睿光电材料有限公司 2024-02-13 CN disclosed
CN-112533930-A Organometallic complexes, polymers containing the same, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2021-03-19 CN disclosed
CN-111051982-A Organic EL display device and method for forming pixel division layer and planarization layer 东丽株式会社 2020-04-21 CN disclosed
US-20070299125-A1 Substituted indoles WYETH (US) 2007-12-27 US disclosed
US-20070299126-A1 Substituted pyrrole-indoles WYETH (US) 2007-12-27 US disclosed
US-7268159-B2 Substituted indoles WYETH (US) 2007-09-11 US disclosed
US-7265148-B2 Substituted pyrrole-indoles WYETH (US) 2007-09-04 US disclosed
EP-1682530-B1 PYRROLE SUBSTITUTED INDOLES AS INHIBITORS OF PAI-1 WYETH CORP (US) 2007-05-09 EP disclosed
US-20050113439-A1 Substituted pyrrole-indoles WYETH (US) 2005-05-26 US disclosed
US-20050113438-A1 Substituted indoles WYETH (US) 2005-05-26 US disclosed
WO-2005030756-A1 SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 WYETH (US) 2005-04-07 WO disclosed
WO-2005030717-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AND THEIR USE AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 WO disclosed
EP-1275646-A4 INDOLYLPYRROLE DERIVATIVES AND CELL DEATH INHIBITORS SAGAMI CHEM RES (JP) 2003-05-28 EP disclosed
US-20030087949-A1 Indolylpyrrole derivatives and cell death inhibitors SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-05-08 US disclosed
US-20030087949-A1 Indolylpyrrole derivatives and cell death inhibitors SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-05-08 US disclosed
EP-1275646-A1 INDOLYLPYRROLE DERIVATIVES AND CELL DEATH INHIBITORS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-01-15 EP disclosed
WO-2001074807-A1 INDOLYLPYRROLE DERIVATIVES AND CELL DEATH INHIBITORS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2001-10-11 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 (5 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-20050113439-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 RAB9A 2975/4885NPC1 4362/4885KDM4E 486/4885
US-20070299126-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 RAB9A 2975/4885NPC1 4362/4885KDM4E 486/4885
US-20070299125-A1 Substituted indoles IDO2, IDO1, INMT RAB9A 3184/4885NPC1 2685/4885KDM4E 1399/4885
US-20050113438-A1 Substituted indoles IDO2, IDO1, INMT RAB9A 3184/4885NPC1 2685/4885KDM4E 1399/4885
US-20030087949-A1 Indolylpyrrole derivatives and cell death inhibitors AIFM1, BAX, CASP3 RAB9A 2626/4885NPC1 1080/4885KDM4E 2396/4885

“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.