SCHEMBL296746

SCHEMBL296746

COc1ccc(C2=C(c3ccc(OCc4nc5ccccn5c4Cl)cc3)C(=O)C(C)(C)O2)cc1.CS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 1/20 0.35
TUBB known ✓ P07437 1/20 0.35
TUBA3C known ✓ P0DPH7 1/20 0.35
TUBA1B known ✓ P68363 1/20 0.35
TUBA4A known ✓ P68366 1/20 0.35
TUBB4B known ✓ P68371 1/20 0.35
TUBB3 known ✓ Q13509 1/20 0.35
TUBB2A known ✓ Q13885 1/20 0.35
TUBB8 known ✓ Q3ZCM7 1/20 0.35
TUBA3E known ✓ Q6PEY2 1/20 0.35
TUBA1A known ✓ Q71U36 1/20 0.35
TUBA1C known ✓ Q9BQE3 1/20 0.35
TUBB6 known ✓ Q9BUF5 1/20 0.35
TUBB2B known ✓ Q9BVA1 1/20 0.35
TUBB1 known ✓ Q9H4B7 1/20 0.35
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 3/20 0.39
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37

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
SCHEMBL286573 0.95 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL14781418 0.89 RAB9A (0.39) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL3739115 0.86 KLK7 (0.41) RAB9ANPC1MAPTPTGS2SMN1; SMN2
SCHEMBL296768 0.82 KDM4E (0.48) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL298128 0.80 MAPT (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL15000240 0.80 KLK7 (0.37) RAB9ANPC1MAPTMAPK1KDM4E
SCHEMBL298442 0.77 MAPT (0.36) RAB9AMAPTPTGS2KDM4E
SCHEMBL297472 0.76 KDM4E (0.40) RAB9ANPC1MAPTPTGS2SMN1; SMN2
SCHEMBL286674 0.76 KDM4E (0.51) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL286616 0.76 PTGER4 (0.39) MAPTSMN1; SMN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020716-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS Forum Pharmaceuticals Inc. (US) 2016-05-18 EP disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
EP-2617420-B1 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
EP-2617420-A1 Phenoxymethyl heterocyclic compounds Envivo Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
EP-2427454-B1 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS INC (US) 2013-03-20 EP disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2427454-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2012-03-14 EP disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 US disclosed
WO-2010128995-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2010-11-11 WO 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 (3 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A TUBB4A 2325/4885TUBB 1738/4885TUBA3C 1508/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A TUBB4A 2325/4885TUBB 1738/4885TUBA3C 1508/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A TUBB4A 2325/4885TUBB 1738/4885TUBA3C 1508/4885

“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.