SCHEMBL505405

SCHEMBL505405

O=C(O)c1ccc(Oc2ccccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.60
IP6K3 Q96PC2 2/20 0.60
IP6K2 Q9UHH9 2/20 0.60
LOXL2 Q9Y4K0 1/20 0.56
SRD5A2 P31213 4/20 0.56
PKM P14618 1/20 0.51
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
MAPK14 Q16539 1/20 0.48
KDM4E B2RXH2 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
DHODH Q02127 1/20 0.47

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
SCHEMBL30362588 1.00 IP6K1 (0.60) IP6K1IP6K3IP6K2LOXL2SRD5A2
SCHEMBL11810981 0.85 IP6K1 (0.49) IP6K1IP6K3IP6K2LOXL2PKM
SCHEMBL5598667 0.85 RAB9A (0.58) IP6K1IP6K3IP6K2SMN1; SMN2LTA4H
SCHEMBL11143982 0.83 PTGS2 (0.57) IP6K1IP6K3IP6K2LOXL2KDM4E
SCHEMBL4776237 0.82 AKR1C3 (0.65) IP6K1IP6K3IP6K2LOXL2NR4A2
SCHEMBL693025 0.82 MAPT (0.62) IP6K1IP6K3IP6K2PKMKDM4E
SCHEMBL31527911 0.82 MAPK14 (0.51) IP6K1IP6K3IP6K2LOXL2PKM
SCHEMBL10615184 0.82 F2 (0.62) LOXL2SRD5A2PKMNR4A1NR4A2
Methyl Alcohol SCHEMBL11157137 0.81 GPR39 (0.51) IP6K1IP6K3IP6K2LOXL2KDM4E
SCHEMBL147539 0.81 LOXL2 (0.52) LOXL2KDM4ECYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
CN-112409331-B Heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-20 CN disclosed
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 EP disclosed
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
CN-109843858-B Certain chemical entities, compositions and methods 润新生物公司 2023-05-05 CN disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 EP disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed
US-7176204-B2 Substituted carboxylic acid derivatives KYORIN PAHRMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20050101521-A1 Substituted carboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed
WO-2003087046-A1 NOVEL AMINOTETRALINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO disclosed
EP-1348698-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2003-10-01 EP disclosed
US-3994908-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIRHEUMATIC SHIONOGI & CO., LTD. (JA) 1976-11-30 US disclosed
US-3940403-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1976-02-24 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 IP6K1 761/4885IP6K3 492/4885IP6K2 530/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 IP6K1 761/4885IP6K3 492/4885IP6K2 530/4885
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP IP6K1 2748/4885IP6K3 3167/4885IP6K2 3583/4885
US-20050101521-A1 Substituted carboxylic acid derivatives PPARG, PPARA, PPARD IP6K1 2974/4885IP6K3 3184/4885IP6K2 3193/4885

“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.