SCHEMBL6409879

SCHEMBL6409879

CC(C)=CCOc1cc(N)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
SYK P43405 1/20 0.47
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
MTNR1A P48039 2/20 0.40
TRPA1 O75762 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TSHR P16473 2/20 0.39
PTGES O14684 3/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL21067362 0.80 PDE4B (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9781407 0.77 SYK (0.50) ADRA2AADRA2BADRA2CSYKCYP3A4
SCHEMBL3785602 0.77 MAPT (0.59) SYKCYP3A4KDM4EALDH1A1MAPK1
SCHEMBL6408609 0.76 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6825718 0.76 RAB9A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3510154 0.75 HTR2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7572810 0.75 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13138528 0.74 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14439923 0.74 SYK (0.50) SYKCYP3A4KDM4EALDH1A1MAPK1
SCHEMBL1663657 0.74 GAA (0.61) SYKCYP3A4KDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed
US-6921770-B2 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-07-26 US disclosed
EP-1311160-A4 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INST SCI & TECH (KR) 2004-04-21 EP disclosed
US-6710077-B1 CONTRACEPTIVE VEHICLE COMPRISING A MEANS FOR BIRTH CONTROL AND AN HIV-PROTECTIVE UNIROYAL CHEMICAL COMPANY, INC. 2004-03-23 US disclosed
US-20030203950-A1 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-10-30 US disclosed
EP-1311160-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-05-21 EP disclosed
EP-0910366-B1 USE OF THIOCARBOXANILIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT FOR PREVENTING THE TRANSMISSION OF HIV TO UNINFECTED CELLS AND CONTRACEPTIVE COMPOSITIONS COMPRISING THE SAID DERIVATIVES UNIROYAL CHEM CO INC (US) 2002-11-13 EP disclosed
EP-0874839-B1 FURAN- AND THIOPHENECARBOTHIOAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE REPLICATION OF HIV-1 AND HIV-1 MUTANTS UNIROYAL CHEM CO INC (US) 2002-09-18 EP disclosed
WO-2002013611-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-02-21 WO disclosed
EP-0910366-A1 USE OF THIOCARBOXANILIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT FOR PREVENTING THE TRANSMISSION OF HIV TO UNINFECTED CELLS AND CONTRACEPTIVE COMPOSITIONS COMPRISING THE SAID DERIVATIVES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1999-04-28 EP disclosed
EP-0874839-A1 FURAN- AND THIOPHENECARBOTHIOAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE REPLICATION OF HIV-1 AND HIV-1 MUTANTS UNIROYAL CHEMICAL COMPANY, Inc. (US) 1998-11-04 EP disclosed
US-5696151-A Compounds useful for the inhibition of the replication of HIV-1 and HIV-1 mutants UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-12-09 US disclosed
WO-1997045116-A1 USE OF THIOCARBOXANILIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT FOR PREVENTING THE TRANSMISSION OF HIV TO UNINFECTED CELLS AND CONTRACEPTIVE COMPOSITIONS COMPRISING THE SAID DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-12-04 WO disclosed
WO-1997019940-A1 FURAN- AND THIOPHENECARBOTHIOAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE REPLICATION OF HIV-1 AND HIV-1 MUTANTS UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-06-05 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 (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-20030203950-A1 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same TYR, SYPL1, SSBP1 ADRA2A 3359/4885ADRA2B 3497/4885ADRA2C 3396/4885

“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.