SCHEMBL8404677

SCHEMBL8404677

CCc1ccc(C(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 8/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ HTR1A P08908 1/20 0.71
▸ MAOA P21397 1/20 0.71
▸ MAOB P27338 1/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ HPGD P15428 1/20 0.68
▸ POLB P06746 1/20 0.67
▸ KDM4E B2RXH2 1/20 0.63
▸ CA12 O43570 1/20 0.63
▸ CA1 P00915 1/20 0.63
▸ CA9 Q16790 1/20 0.63
▸ EPHX2 P34913 1/20 0.62
▸ KMT2A Q03164 1/20 0.62

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
SCHEMBL8430041 0.92 TSHR (0.73) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL14393672 0.90 CD274 (0.68) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL7451212 0.88 CD274 (0.73) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL10264587 0.87 NPSR1 (0.72) ALDH1A1HPGDPOLBKDM4ECA12
SCHEMBL15947384 0.87 CD274 (0.68) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL20671965 0.87 CD274 (0.68) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL8404675 0.86 CD274 (0.71) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL2251460 0.86 CD274 (0.76) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL28212521 0.86 CD274 (0.71) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL280240 0.86 MEN1 (0.76) CD274ALDH1A1HTR1AMAOAMAOB

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
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 — — US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 — — US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 — — US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 — — US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 — — US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 — — US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 — — 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CD274 4402/4885ALDH1A1 291/4885HTR1A 414/4885
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC CD274 3712/4885ALDH1A1 1635/4885HTR1A 1690/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CD274 4402/4885ALDH1A1 291/4885HTR1A 414/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 CD274 2783/4885ALDH1A1 1929/4885HTR1A 1094/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 CD274 4833/4885ALDH1A1 1197/4885HTR1A 2025/4885

“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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