SCHEMBL3482844

SCHEMBL3482844

Cc1cc2c[c]ccc2s1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17044143 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4459969 0.76 XPO1 (0.35)
SCHEMBL3815667 0.75
SCHEMBL4477771 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18230211 0.75 BACE1 (0.43)
SCHEMBL3816650 0.75
SCHEMBL13736280 0.72
SCHEMBL9727720 0.71 APP (0.47)
SCHEMBL595321 0.69 BCL2L1 (0.58) ALDH1A1
SCHEMBL3807869 0.69 ESR1 (0.49) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563713-A 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine 王兴理 2019-12-13 CN claimed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP claimed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US claimed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP claimed
EP-2892892-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2015-07-15 EP claimed
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, NV (BE) 2015-04-09 US claimed
WO-2014039769-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-03-13 WO claimed
US-8236796-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-07 US claimed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US claimed
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-10-08 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP claimed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (8 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ALDH1A1 1731/4885
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 ALDH1A1 197/4885
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 ALDH1A1 777/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 ALDH1A1 197/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 ALDH1A1 954/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 ALDH1A1 197/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 ALDH1A1 409/4885

“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.