SCHEMBL4958170

SCHEMBL4958170

C=C(N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
HIF1A Q16665 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
TSHR P16473 1/20 0.43
IDO1 P14902 3/20 0.43
NOS2 P35228 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
FNTA P49354 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
Iodide SCHEMBL28732841 0.97 CES1 (0.48) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL24098561 0.81 SLC6A4 (0.53) KMT2AALDH1A1LMNASMN1; SMN2IDO1
SCHEMBL9828347 0.78 CES1 (0.50) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL12095508 0.78 CES1 (0.55) CES1CES2AKR1B1KMT2AALDH1A1
SCHEMBL8993215 0.78 CES1 (0.55) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL822099 0.78 CES1 (0.55) CES1CES2AKR1B1KMT2AALDH1A1
SCHEMBL2241627 0.78 CES1 (0.55) CES1CES2AKR1B1KMT2AALDH1A1
SCHEMBL5184996 0.78 CES1 (0.55) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL28085046 0.78 CES1 (0.55) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL23891925 0.77 ABAT (0.50) LOXL2NOS2HDAC6NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153890-B1 DERIVATIVES OF 3-PHENYL-2-PROPENAMINE, THEIR PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC SANTE (FR) 1989-01-04 EP claimed
US-4755599-A 3-phenyl-2-propeneamine derivatives, their preparation and composition containing them RHONE-POULENC SANTE (FR) 1988-07-05 US claimed
US-4686309-A ANTIDEPRESSANTS RHONE-POULENC SANTE (FR) 1987-08-11 US claimed
CN-116156919-A Light-emitting device, preparation method thereof and display device TCL科技集团股份有限公司 2023-05-23 CN disclosed
EP-3345982-A1 DOUBLE SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-11 EP disclosed
WO-2018048806-A1 CXCR4 ANTAGONISTS AND METHODS OF USE Mainline Biosciences (US) 2018-03-15 WO disclosed
CN-104520399-B Adhesive composite 日本瑞翁株式会社 2017-11-10 CN disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
CN-103946301-B Acrylonitrile rubber composite and rubber cross thing ZEON CORP. (JP) 2015-11-25 CN disclosed
CN-104520399-A Adhesive agent composition ZEON CORP 2015-04-15 CN disclosed
US-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2015-02-19 US disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed
WO-1998039342-A1 NOVEL INDOLE AND AZAINDOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed
CN-1050545-A Inhibitors of post-infective viral proteases HOECHST AG (DE) 1991-04-10 CN disclosed
EP-0153890-B1 DERIVATIVES OF 3-PHENYL-2-PROPENAMINE, THEIR PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC SANTE (FR) 1989-01-04 EP disclosed
US-4755599-A 3-phenyl-2-propeneamine derivatives, their preparation and composition containing them RHONE-POULENC SANTE (FR) 1988-07-05 US disclosed
US-4755599-A 3-phenyl-2-propeneamine derivatives, their preparation and composition containing them RHONE-POULENC SANTE (FR) 1988-07-05 US disclosed
US-4686309-A ANTIDEPRESSANTS RHONE-POULENC SANTE (FR) 1987-08-11 US disclosed
US-4686309-A ANTIDEPRESSANTS RHONE-POULENC SANTE (FR) 1987-08-11 US disclosed
EP-0153890-A2 Derivatives of 3-phenyl-2-propenamine, their preparation and medicines containing them RHONE-POULENC SANTE (FR) 1985-09-04 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 (1 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-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR CES1 1273/4885CES2 1550/4885AKR1B1 1682/4885

“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.