SCHEMBL3040780

SCHEMBL3040780

O=[N+]([O-])c1cccc2oc(CCl)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
F2RL3 Q96RI0 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DCTPP1 Q9H773 1/20 0.39

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
SCHEMBL1918235 0.84 PDE10A (0.45) PDE10AALDH1A1TSHRTXNRD1TXNRD3
SCHEMBL13425980 0.84 PDE10A (0.45) PDE10AALDH1A1TSHRTXNRD1TXNRD3
SCHEMBL7111564 0.81 ALDH1A1 (0.49) PDE10AALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL7908892 0.79 PDE10A (0.49) PDE10AALDH1A1TSHRTXNRD1TXNRD3
SCHEMBL28052403 0.77 PDE10A (0.50) PDE10AALDH1A1TSHRTXNRD1TXNRD3
SCHEMBL15372172 0.76 MAPT (0.46) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL1121403 0.76 PDE10A (0.49) PDE10AALDH1A1TSHRTXNRD1TXNRD3
SCHEMBL3173439 0.76 TDP1 (0.50) PDE10AALDH1A1TSHRTXNRD1TXNRD3
SCHEMBL26907309 0.76 MEN1 (0.53) PDE10AALDH1A1TSHRTXNRD1TXNRD3
SCHEMBL3192292 0.75 F2RL3 (0.46) PDE10AALDH1A1TSHRTXNRD1TXNRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195469-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-01-14 US disclosed
EP-3892623-B1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RES INST CHEMICAL TECH (KR) 2024-07-10 EP disclosed
CN-113166161-B Compounds having PDE9A inhibiting activity and pharmaceutical uses thereof 韩国化学研究院 2023-10-27 CN disclosed
US-20220024932-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-27 US disclosed
US-20220024932-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-27 US disclosed
EP-3892623-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed
CN-113166161-A Compound with PDE9A inhibitory activity and pharmaceutical use thereof 韩国化学研究院 2021-07-23 CN disclosed
WO-2020116971-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed
US-8653081-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-02-18 US disclosed
US-8653081-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-02-18 US disclosed
US-20100210634-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 US disclosed
US-7718657-B2 Certain indanyl urea modulators of the cardiac sarcomere CYTOKINETICS, INC. (US) 2010-05-18 US disclosed
US-7718657-B2 Certain indanyl urea modulators of the cardiac sarcomere CYTOKINETICS, INC. (US) 2010-05-18 US disclosed
US-7718657-B2 Certain indanyl urea modulators of the cardiac sarcomere CYTOKINETICS, INC. (US) 2010-05-18 US disclosed
EP-1959962-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197507-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197507-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197507-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007078815-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 WO disclosed
WO-2007078815-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 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 (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-12195469-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof PDE9A, PDE5A, PDE3A PDE10A 13/4885ALDH1A1 517/4885TSHR 4222/4885
US-20100210634-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 PDE10A 196/4885ALDH1A1 3619/4885TSHR 3989/4885
US-20220024932-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A PDE10A 13/4885ALDH1A1 517/4885TSHR 4222/4885
US-20070197507-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 PDE10A 196/4885ALDH1A1 3619/4885TSHR 3989/4885

“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.