SCHEMBL17390249

SCHEMBL17390249

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(I)ccc3OCC)nc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.75
PDE6C P51160 3/20 0.75
KMT2A Q03164 2/20 0.75
PDE1A P54750 2/20 0.75
PDE1B Q01064 2/20 0.75
PDE1C Q14123 2/20 0.75
MEN1 O00255 1/20 0.75
ALDH1A1 P00352 1/20 0.75
HPGD P15428 1/20 0.75
KDM4E B2RXH2 1/20 0.71
HDAC6 Q9UBN7 7/20 0.67
HDAC1 Q13547 5/20 0.67
HDAC2 Q92769 3/20 0.67
PDE2A O00408 1/20 0.67
ABCC4 O15439 1/20 0.67
ABCC5 O15440 1/20 0.67
PDE6D O43924 1/20 0.67
PDE8A O60658 1/20 0.67
PDE9A O76083 1/20 0.67
ABCB11 O95342 1/20 0.67

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
SCHEMBL18715171 0.88 PDE5A (0.75) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL7950435 0.88 KMT2A (0.77) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL7950877 0.88 PDE5A (0.75) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL29416347 0.88 PDE5A (0.75) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL15996180 0.87 PDE5A (0.73) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL14836876 0.87 PDE5A (0.73) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL1202 0.86 PDE5A (1.00) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL31174349 0.86 PDE5A (1.00) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL24199882 0.86 PDE5A (0.71) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL7961020 0.86 PDE5A (1.00) PDE5APDE6CKMT2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4678632-A1 METHOD FOR PRODUCING ARYL COMPOUND CONTAINING TRITYLSULFANYL GROUP AGC Inc. (JP) 2026-01-14 EP disclosed
US-20250346557-A1 METHOD FOR PRODUCING ARYL COMPOUND CONTAINING TRITYLSULFANYL GROUP AGC Inc. (JP) 2025-11-13 US disclosed
WO-2024185814-A1 METHOD FOR PRODUCING ARYL COMPOUND CONTAINING TRITYLSULFANYL GROUP AGC株式会社 2024-09-12 WO disclosed
US-9969744-B2 Compounds for use in cognition improvement FUNDACIÓN LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2018-05-15 US disclosed
US-20170217973-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-08-03 US disclosed
EP-2961741-B1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUND PARA LA INVESTIG MEDICA APLICADA (ES) 2017-04-05 EP disclosed
US-9573956-B2 Compounds as dual inhibitors of phosphodiesterases and histone deacetylases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-02-21 US disclosed
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-01-07 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-20170217973-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT CHAT, NLN, GRIN2C PDE5A 1677/4885PDE6C 2338/4885KMT2A 1826/4885
US-20250346557-A1 METHOD FOR PRODUCING ARYL COMPOUND CONTAINING TRITYLSULFANYL GROUP STS, TST, CYP3A5 PDE5A 620/4885PDE6C 1511/4885KMT2A 944/4885
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 PDE5A 24/4885PDE6C 236/4885KMT2A 98/4885

“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.