SCHEMBL3587955

SCHEMBL3587955

[c]1cccc(Cc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.38
BRD4 O60885 1/20 0.38
MAOB P27338 1/20 0.35
SORT1 Q99523 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 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
SCHEMBL6543577 0.82 ESR1 (0.46) L3MBTL1RAB9ATAAR1CD74MIF
SCHEMBL1202201 0.82 KCNH2 (0.55) ALDH1A1SMN1; SMN2TDP1KCNH2MAOB
SCHEMBL28447286 0.77 TSHR (0.54) L3MBTL1RAB9ASMN1; SMN2KCNH2MAOB
SCHEMBL6861652 0.76 L3MBTL1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2TDP1MAOB
SCHEMBL1517986 0.74 BRD4 (0.39) CALM1ALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL6544806 0.73 SHBG (0.39) ALDH1A1POLB
SCHEMBL8649366 0.72 CALM1 (0.41) CALM1L3MBTL1TAAR1HTR2CHRH3
SCHEMBL1809188 0.71
SCHEMBL11330543 0.70 KCNH2 (0.62) CALM1ALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL1240393 0.69 CALM1 (0.42) CALM1ALDH1A1L3MBTL1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
CN-101372521-B Copolymers of ethylene with alpha-olefins BASELL POLYOLEFINE GMBH 2011-09-07 CN disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
US-7534847-B2 Copolymers of ethylene with α-olefins BASELL POLYOLEFINE GMBH (DE) 2009-05-19 US disclosed
CN-101372521-A Copolymers of ethylene with alpha-olefins BASELL POLYOLEFINE GMBH (DE) 2009-02-25 CN disclosed
CN-100406475-C Copolymers of ethylene and alpha-olefins BASELL POLYOLEFINE GMBH (DE) 2008-07-30 CN disclosed
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 CN disclosed
CN-1729210-A Copolymers of ethylene and alpha-olefins BASELL POLYOLEFINE GMBH (DE) 2006-02-01 CN disclosed
US-20050282979-A1 Copolymers of ethylene with alpha-olefins BASELL POLYOLEFINE GMBH (DE) 2005-12-22 US disclosed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
US-5554578-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5468717-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5378711-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5334577-A 2-(substituted pyridy-oxymethyl)-phenylglyoxylate alkyloxime BASF AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed
US-5326767-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed
US-5157037-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 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 (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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 CALM1 4320/4885ALDH1A1 963/4885L3MBTL1 3954/4885
US-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 CALM1 3859/4885ALDH1A1 2634/4885L3MBTL1 1024/4885

“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.