SCHEMBL5493987

SCHEMBL5493987

NC1([C]=O)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
AHR P35869 1/20 0.31
PDK2 Q15119 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.30
MAOA P21397 2/20 0.30
NPC1 O15118 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
MAOB P27338 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL3308997 0.76 ALDH1A1 (0.38) TSHRALDH1A1KMT2AMAOAMAOB
SCHEMBL15019278 0.71 TSHR (0.38) CYP1A2HDAC9TSHRMAOAMAOB
SCHEMBL31185116 0.70 HDAC9 (0.32) CYP1A2HDAC9AHRPDK2
SCHEMBL19205882 0.70 HDAC9 (0.32) CYP1A2HDAC9AHRPDK2
Hydrochloric Acid SCHEMBL4733230 0.69 IDO1 (0.37) CYP1A2TSHRMAOAMAOB
SCHEMBL8553587 0.69 BACE1 (0.39) TSHRALDH1A1KMT2APARP1MAOB
SCHEMBL2090675 0.68 NOTUM (0.33) CYP1A2HDAC9KMT2A
Hydrochloric Acid SCHEMBL9179624 0.67 BACE1 (0.38) TSHRALDH1A1KMT2APARP1MAOB
SCHEMBL865619 0.67 HTR2A (0.41) HDAC9ALDH1A1KMT2AMAOAMAOB
SCHEMBL27796346 0.67 NPSR1 (0.40) CYP1A2HDAC9TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078384-B2 Mimetic insect allatostatin analogs for insect control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2006-07-18 US claimed
US-20040229812-A1 Mimetic insect allatostatin analogs for insect control THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2004-11-18 US claimed
US-20040039159-A1 Mimetic insect allatostatin analogs for insect control NACHMAN RONALD J (US) 2004-02-26 US claimed
US-20030161857-A1 Mimetic insect allatostatin analogs for insect control UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-08-28 US claimed
US-6207643-B1 PSEUDOPEPTIDE ANALOGS ARE PRODUCED WHICH EXHIBIT AN OVERALL AMPHIPHILIC NATURE AND WHICH ARE CAPABLE OF PENETRATING THE INSECT CUTICLE WHILE STILL RETAINING BIOLOGICAL ACTIVITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2001-03-27 US claimed
WO-2000029010-A1 MIMETIC INSECT ALLATOSTATIN ANALOGS FOR INSECT CONTROL THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2000-05-25 WO claimed
US-7208476-B2 Mimetic insect allatostatin analogs for insect control THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2007-04-24 US disclosed
US-7129226-B2 Mimetic insect allatostatin analogs for insect control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF ARGRICULTURE (US) 2006-10-31 US disclosed
US-7078384-B2 Mimetic insect allatostatin analogs for insect control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2006-07-18 US disclosed
US-20040229812-A1 Mimetic insect allatostatin analogs for insect control THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2004-11-18 US disclosed
US-20040039159-A1 Mimetic insect allatostatin analogs for insect control NACHMAN RONALD J (US) 2004-02-26 US disclosed
US-6664371-B1 Use of pseudopeptide analogs which inhibit insect juvenile hormone biosynthesis and the use of such analogs for insect control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-12-16 US disclosed
US-20030161857-A1 Mimetic insect allatostatin analogs for insect control UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-08-28 US disclosed
US-6207643-B1 PSEUDOPEPTIDE ANALOGS ARE PRODUCED WHICH EXHIBIT AN OVERALL AMPHIPHILIC NATURE AND WHICH ARE CAPABLE OF PENETRATING THE INSECT CUTICLE WHILE STILL RETAINING BIOLOGICAL ACTIVITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2001-03-27 US disclosed
WO-2000029010-A1 MIMETIC INSECT ALLATOSTATIN ANALOGS FOR INSECT CONTROL THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2000-05-25 WO disclosed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 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 (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-20040039159-A1 Mimetic insect allatostatin analogs for insect control ANPEP, CTRL, DNPEP CYP1A2 4451/4885HDAC9 3403/4885AHR 2360/4885
US-20030161857-A1 Mimetic insect allatostatin analogs for insect control ANPEP, CTRL, DNPEP CYP1A2 4451/4885HDAC9 3403/4885AHR 2360/4885
US-20040229812-A1 Mimetic insect allatostatin analogs for insect control ANPEP, CTRL, DNPEP CYP1A2 4451/4885HDAC9 3403/4885AHR 2360/4885

“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.