SCHEMBL117715

SCHEMBL117715

C1=C2Sc3ccccc3N=C2Sc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
BACE1 P56817 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
HDAC6 Q9UBN7 1/20 0.33
DRD2 P14416 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
SCHEMBL5834450 0.68 TRPA1 (0.34) TRPA1GPR84
SCHEMBL31287195 0.68 TRPA1 (0.34) TRPA1GPR84
SCHEMBL29643017 0.64 GPR84 (0.37) TRPA1GPR84
Dibenzo[B,F][1,4]Thiazepine SCHEMBL696578 0.63 TRPA1 (1.00) TRPA1BACE1GPR84DRD2
SCHEMBL882180 0.62 TRPA1 (0.36) TRPA1BACE1DRD2
SCHEMBL17103733 0.62 TRPA1 (0.36) TRPA1BACE1DRD2
SCHEMBL11818614 0.61 HDAC6 (0.33) TRPA1BACE1HDAC6DRD2
SCHEMBL21835118 0.61 TRPA1 (0.35) TRPA1BACE1DRD2
SCHEMBL27411802 0.61 CYP11B2 (0.42) TRPA1GPR84
SCHEMBL29352703 0.60 TRPA1 (0.45) TRPA1BACE1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175926-A1 TARGETED SYNERGISTIC CANCER IMMUNOTHERAPY BRIGHAM & WOMENS HOSPITAL INC (US) 2022-06-09 US claimed
EP-3946456-A1 TARGETED SYNERGISTIC CANCER IMMUNOTHERAPY The Brigham and Women's Hospital, Inc. (US) 2022-02-09 EP claimed
WO-2020205729-A1 TARGETED SYNERGISTIC CANCER IMMUNOTHERAPY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2020-10-08 WO claimed
US-9107948-B2 Compounds for diagnosing diseases associated with the expression of MUC5AC GUERBET (FR) 2015-08-18 US claimed
US-9011819-B2 Optical imaging contrast agents and uses thereof TARGESON, INC. (US) 2015-04-21 US claimed
US-20120244078-A1 OPTICAL IMAGING CONTRAST AGENTS AND USES THEREOF TARGESON, INC. (US) 2012-09-27 US claimed
EP-2480127-A1 OPTICAL IMAGING CONTRAST AGENTS AND USES THEROF Targeson, Inc. (US) 2012-08-01 EP claimed
WO-2011038043-A1 OPTICAL IMAGING CONTRAST AGENTS AND USES THEROF TARGESON, INC. (US) 2011-03-31 WO claimed
WO-2005058153-A2 OPTICAL IMAGING CONTRAST AGENTS COMPRISING A TARGETING VECTOR LINKED TO A FLUOROPHORE AMERSHAM HEALTH AS (NO) 2005-06-30 WO claimed
US-20240139252-A1 TREATMENT OF VON WILLEBRAND DISEASE CELLPHIRE, INC. (US) 2024-05-02 US disclosed
US-11965178-B2 Platelets loaded with anti-cancer agents CELLPHIRE, INC. (US) 2024-04-23 US disclosed
US-20240077837-A1 SYSTEMS AND METHODS FOR INDICATING THE TIME ELAPSED SINCE THE OCCURRENCE OF A TRIGGERING EVENT JOHNSON & JOHNSON VISION CARE (US) 2024-03-07 US disclosed
US-11903971-B2 Treatment of von Willebrand disease CELLPHIRE, INC. (US) 2024-02-20 US disclosed
US-20240042068-A1 CASPASE-3-TRIGGERED MOLECULAR SELF-ASSEMBLING PET PROBES AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-02-08 US disclosed
WO-1998057667-A1 METHODS OF PHOTOACOUSTIC IMAGING NYCOMED IMAGING AS (NO) 1998-12-23 WO disclosed
WO-1998052609-A1 SONODYNAMIC THERAPY USING AN ULTRASOUND SENSITIZER COMPOUND NYCOMED IMAGING AS (NO) 1998-11-26 WO disclosed
WO-1998048845-A1 METHOD OF DEMARCATING TISSUE NYCOMED IMAGING AS (NO) 1998-11-05 WO disclosed
WO-1998047541-A1 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-10-29 WO disclosed
WO-1998018496-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-05-07 WO disclosed
WO-1998018497-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-05-07 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-20240042068-A1 CASPASE-3-TRIGGERED MOLECULAR SELF-ASSEMBLING PET PROBES AND USES THEREOF CASP3, CASP14, CASP6 TRPA1 2202/4885BACE1 47/4885GPR84 3899/4885

“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.