SCHEMBL1920482

SCHEMBL1920482

O=C1[C]=Nc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CYP1A2 P05177 1/20 0.39
TRPA1 O75762 5/20 0.38
MAOA P21397 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP2A6 P11509 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CES1 P23141 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
MAOB P27338 1/20 0.33
BCHE P06276 1/20 0.33
HPGD P15428 1/20 0.32
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL8351216 0.75 TRPA1 (0.38) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL334119 0.75 TRPA1 (0.42) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL6682029 0.71 TRPA1 (0.35) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL84394 0.67 NOS3 (0.65) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL9924581 0.67 NOS3 (0.43) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL3616940 0.67 NOS3 (0.48) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL35438 0.67 NOS3 (0.48) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL124176 0.67 CYP1A2 (0.44) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL14454718 0.67 NOS3 (0.44) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL5021700 0.66 NOS3 (0.46) NOS3NOS1NOS2TRPA1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN claimed
EP-4006016-A2 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2022-06-01 EP claimed
US-11059836-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-07-13 US claimed
US-20200102328-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2020-04-02 US claimed
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 US claimed
EP-3186233-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-07-05 EP claimed
WO-2016033445-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO claimed
US-8552023-B2 Non-amidic linkers with branched termini as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-08 US claimed
EP-2326176-B1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 EP claimed
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-04 US claimed
EP-2326176-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-06-01 EP claimed
WO-2010021864-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-02-25 WO claimed
EP-2148859-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-02-03 EP claimed
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP claimed
WO-2008137805-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO claimed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO claimed
US-4545806-A 5-(Oxo or thio heterocycle) cyclohexane-1,3-dione derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1985-10-08 US claimed
US-20240231224-A9 HALOGEN-AND ALIPHATIC-CONTAINING ORGANOTIN PHOTORESISTS AND METHODS THEREOF LAM RESEARCH CORPORATION 2024-07-11 US disclosed
EP-0189774-A1 Process for production of N,N-disubstituted carboxylic acid amides TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-06 EP disclosed
US-4545806-A 5-(Oxo or thio heterocycle) cyclohexane-1,3-dione derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1985-10-08 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 (4 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-11059836-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 NOS3 4739/4885NOS1 4602/4885NOS2 4732/4885
US-20200102328-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 NOS3 4739/4885NOS1 4602/4885NOS2 4732/4885
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 NOS3 4707/4885NOS1 4582/4885NOS2 4693/4885
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS CALCRL, GRPR, CCKBR NOS3 990/4885NOS1 1482/4885NOS2 1688/4885

“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.