SCHEMBL4407247

SCHEMBL4407247

CCCCc1nnnn1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC9A1 P19634 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2C P28335 1/20 0.31
TSHR P16473 1/20 0.31
DAGLA Q9Y4D2 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4407084 0.94 ALDH1A1 (0.41) ALDH1A1LMNAHSD11B1SLC9A1TSHR
SCHEMBL4409273 0.92 ALDH1A1 (0.40) ALDH1A1LMNASLC9A1TSHR
SCHEMBL20963387 0.92 ALDH1A1 (0.40) ALDH1A1LMNASLC9A1TSHR
SCHEMBL4405692 0.86
SCHEMBL4672679 0.86 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AHTR1AHTR2C
SCHEMBL4409185 0.81 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AHTR1A
SCHEMBL6474091 0.81 ALDH1A1 (0.36) ALDH1A1LMNASLC9A1HTR1AHTR2C
SCHEMBL18723130 0.80 LMNA (0.34) ALDH1A1LMNATSHR
SCHEMBL4406557 0.79 KMT2A (0.42) ALDH1A1LMNAMEN1KMT2ASLC9A1
SCHEMBL4407174 0.79 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914234-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-06-23 CN disclosed
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 EP disclosed
WO-2018130838-A1 THIOBENZOIMIDAZOLE AS FUNGICIDES REDAG CROP PROTECTION LTD (GB) 2018-07-19 WO disclosed
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARM INC (US) 2016-05-19 US disclosed
US-9221878-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 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 (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-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS ALDH1A1 3792/4885MAOB 3582/4885LMNA 4263/4885
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS ALDH1A1 3792/4885MAOB 3582/4885LMNA 4263/4885

“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.