SCHEMBL6023537

SCHEMBL6023537

NCCc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.53
▸ IL4I1 Q96RQ9 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ OGT O15294 1/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ CREBBP Q92793 1/20 0.44
▸ KMO O15229 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ NOS3 P29474 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ADRA2A P08913 1/20 0.41

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
SCHEMBL1469801 0.87 NOS1 (0.53) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL3931441 0.86 NOS1 (0.56) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5545754 0.83 NOS1 (0.53) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL4884404 0.83 NOS1 (0.53) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL17268194 0.82 IL4I1 (0.56) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5535563 0.81 NOS1 (0.50) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL4675522 0.81 KDM4E (0.52) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL10392913 0.81 NOS1 (0.50) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL8786452 0.80 NOS1 (0.49) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5536087 0.80 NOS1 (0.49) NOS1IL4I1KDM4EALDH1A1PDE3B

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
JP-59112976-A — — None — — JP disclosed
CN-107205966-B Arylalkyl amine compounds for preventing or treating cancer 森梅威思大学 2021-01-26 — — CN disclosed
CN-107205965-B Arylalkyl amine compounds for preventing or treating cancer 森梅威思大学 2020-10-27 — — CN disclosed
EP-3226851-B1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIV (HU) 2020-03-18 — — EP disclosed
EP-3226852-B1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIV (HU) 2020-03-18 — — EP disclosed
US-10258598-B2 Compounds for use in the prevention or treatment of cancer SEMMELWEIS UNIVERSITY (HU) 2019-04-16 — — US disclosed
US-10258599-B2 Compounds for use in the prevention or treatment of cancer SEMMELWEIS UNIVERSITY (HU) 2019-04-16 — — US disclosed
US-20170340582-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER FUJIMOTO CO. LTD. (JP) 2017-11-30 — — US disclosed
US-20170319535-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2017-11-09 — — US disclosed
EP-3226852-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER Semmelweis University (HU) 2017-10-11 — — EP disclosed
EP-3226851-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER Semmelweis University (HU) 2017-10-11 — — EP disclosed
WO-2016088111-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2016-06-09 — — WO disclosed
WO-2016088112-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2016-06-09 — — WO disclosed
EP-0957080-B1 NOVEL ETHYLAMINE DERIVATIVES FUJIMOTO BROTHERS CO LTD (JP) 2006-06-21 — — EP disclosed
EP-0957080-A1 NOVEL ETHYLAMINE DERIVATIVES Fujimoto Brothers Co., Ltd. (JP) 1999-11-17 — — EP disclosed
US-5919784-A ANXIETY, DEPRESSION ADIR ET COMPAGNIE (FR) 1999-07-06 — — US disclosed
US-5182278-A Arterial hypotensive agents ADIR ET COMPAGNIE (FR) 1993-01-26 — — US disclosed
US-5132305-A Analgesics ADIR ET COMPAGNIE (FR) 1992-07-21 — — US disclosed
US-4960778-A ANALGESICS ADIR ET CIE (FR) 1990-10-02 — — US disclosed
JP-S59112976-A SUBSTITUTED 6-(2-AMINOETHYL)-BENZOOXAZOLINONE, MANUFACTURE AND USE RIOMU LAB U ERU EMU SA 1984-06-29 — — JP 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 (4 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-20170340582-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER TMSB10, PNMT, HNMT NOS1 1544/4885IL4I1 2308/4885KDM4E 882/4885
US-10258599-B2 Compounds for use in the prevention or treatment of cancer TMSB10, PNMT, HNMT NOS1 1561/4885IL4I1 2353/4885KDM4E 869/4885
US-20170319535-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER TMSB10, PNMT, HNMT NOS1 1544/4885IL4I1 2308/4885KDM4E 882/4885
US-10258598-B2 Compounds for use in the prevention or treatment of cancer TMSB10, PNMT, HNMT NOS1 1561/4885IL4I1 2353/4885KDM4E 869/4885

“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.

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