SCHEMBL5401038

SCHEMBL5401038

BrCc1nc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
FAAH O00519 2/20 0.48
AAK1 Q2M2I8 4/20 0.48
ELANE P08246 1/20 0.47
AKR1B1 P15121 1/20 0.47
LIPG Q9Y5X9 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43

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
SCHEMBL27511631 0.88 GAA (0.56) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL11328951 0.87 GAA (0.63) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL30612619 0.84 GAA (0.59) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL22042996 0.84 GAA (0.59) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL5396501 0.84 GAA (0.59) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL5759355 0.84 GAA (0.59) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL4905806 0.81 LOXL2 (0.64) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL11336489 0.80 AKR1B1 (0.61) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL30358383 0.80 GAA (0.55) GAAL3MBTL1FAAHAAK1AKR1B1
SCHEMBL28318401 0.80 GAA (0.55) GAAL3MBTL1FAAHAAK1AKR1B1

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 17 patents. 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
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-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 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 (5 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 GAA 148/4885L3MBTL1 4695/4885FAAH 2754/4885
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR GAA 4469/4885L3MBTL1 2163/4885FAAH 813/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 GAA 3493/4885L3MBTL1 4070/4885FAAH 832/4885
US-20220024932-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A GAA 148/4885L3MBTL1 4695/4885FAAH 2754/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 GAA 3499/4885L3MBTL1 4101/4885FAAH 865/4885

“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.