Sugi Predict

Sugi Predict / Compounds / SCHEMBL483742

SCHEMBL483742

SCHEMBL483742

Cc1ccc(-c2cc3ccccc3cn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.69
▸ RAB9A P51151 4/20 0.69
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2A6 P11509 1/20 0.53
▸ CASP3 P42574 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GRM4 Q14833 1/20 0.48
▸ CTRC Q99895 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL30179132 1.00 NPC1 (0.69) NPC1RAB9ACYP1A2CYP2A6CASP3
SCHEMBL23555440 0.98 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2A6CASP3
SCHEMBL14505861 0.87 NPC1 (0.58) NPC1RAB9ACYP1A2CYP2A6CASP3
SCHEMBL29531434 0.85 NPC1 (0.59) NPC1RAB9ACYP1A2CYP2A6CASP3
SCHEMBL28934094 0.85 NPC1 (0.59) NPC1RAB9ACYP1A2CYP2A6CASP3
SCHEMBL19454862 0.85 NPC1 (0.59) NPC1RAB9ACYP1A2CYP2A6CASP3
SCHEMBL18325314 0.84 NPC1 (0.51) NPC1RAB9ACYP1A2CYP2A6MEN1
SCHEMBL29838915 0.84 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2A6CASP3
SCHEMBL29493150 0.84 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2A6CASP3
SCHEMBL729768 0.84 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2A6CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678798-B Synthetic method of isoquinoline compound 湖南科技大学 2023-01-17 — — CN disclosed
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORPORATION (JP) 2021-06-24 — — US disclosed
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 — — EP disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 — — WO disclosed
CN-106588767-B A method of tandem reaction, which is catalyzed, in water phase synthesizes isoquinolinone derivatives 南阳师范学院 2019-07-26 — — CN disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 — — EP disclosed
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 — — US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 — — US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 — — US disclosed
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 — — EP disclosed
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 — — EP disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 — — US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 — — US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 — — WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 — — 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 (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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 NPC1 68/4885RAB9A 1055/4885CYP1A2 3175/4885
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT ASH2L, SETDB1, KAT5 NPC1 4344/4885RAB9A 4644/4885CYP1A2 466/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 NPC1 143/4885RAB9A 1434/4885CYP1A2 3777/4885
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES JUP, L1CAM, EPCAM NPC1 3239/4885RAB9A 2248/4885CYP1A2 1899/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 NPC1 68/4885RAB9A 1055/4885CYP1A2 3175/4885

“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.