SCHEMBL259028

SCHEMBL259028

S=c1[nH]c2cccnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PSMB8 P28062 2/20 0.52
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SIRT1 Q96EB6 1/20 0.43
NUDT1 P36639 2/20 0.42
PSMD14 O00487 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.39
AXL P30530 1/20 0.38

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
SCHEMBL29967265 1.00 MAPT (0.52) MAPTALDH1A1HSD17B10PSMB8CYP3A4
SCHEMBL5111018 0.75 MAPT (0.48) MAPTALDH1A1HSD17B10PSMB8CYP3A4
SCHEMBL360425 0.74 PARP1 (0.55) KDM4EAURKAPARP1
SCHEMBL340944 0.74 PRKD3 (0.49) KDM4ESYKAURKAPARP1
SCHEMBL29480586 0.74 PRKD3 (0.49) KDM4ESYKAURKAPARP1
SCHEMBL5389075 0.73 ERAP1 (0.46) MAPTALDH1A1HSD17B10PSMB8CYP3A4
Hydrochloric Acid SCHEMBL30775701 0.72 PRKD3 (0.47) KDM4ESYKAURKAPARP1
Hydrochloric Acid SCHEMBL30594385 0.72 PRKD3 (0.47) KDM4ESYKAURKAPARP1
2-Mercaptobenzimidazole SCHEMBL29360590 0.70 ALDH1A1 (1.00) MAPTALDH1A1HSD17B10PSMB8CYP3A4
2-Mercaptobenzimidazole SCHEMBL705730 0.70 ALDH1A1 (1.00) MAPTALDH1A1HSD17B10PSMB8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260164-B Preparation method, structural composition and application of novel 4 (3H) -quinazolinone analogue in antitumor drugs 杭州星鳌生物科技有限公司 2024-03-26 CN disclosed
WO-2022233253-A1 METHOD FOR PREPARING NEW 4(3H)-QUINAZOLINONE ANALOG, STRUCTURAL COMPOSITION THEREOF, AND USE THEREOF IN ANTITUMOR DRUGS 杭州星鳌生物科技有限公司 2022-11-10 WO disclosed
CN-115260164-A Preparation method and structural composition of novel 4 (3H) -quinazolinone analogue and application of analogue in antitumor drugs 杭州星鳌生物科技有限公司 2022-11-01 CN disclosed
WO-2020081856-A1 INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-04-23 WO disclosed
US-9669029-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-06-06 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-9592230-B2 Substituted imidazoles as PDE10A inhibitors H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-20150290191-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-10-15 US disclosed
US-9096589-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-08-04 US disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 US disclosed
WO-2005009336-A9 ANTIBACTERIAL METHODS AND COMPOSITIONS REPLIDYNE INC (US) 2005-04-14 WO disclosed
WO-2005009336-A2 ANTIBACTERIAL METHODS AND COMPOSITIONS REPLIDYNE, INC. (US) 2005-02-03 WO disclosed
US-20050009833-A1 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. 2005-01-13 US disclosed
US-20040224981-A1 Antibacterial methods and compositions REPLIDYNE, INC. 2004-11-11 US disclosed
WO-2004078119-A2 SUBSTITUTED THIOPHENES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE INC. (US) 2004-09-16 WO disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 US disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 WO disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
US-4144341-A ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 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 (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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 MAPT 3985/4885ALDH1A1 1318/4885HSD17B10 899/4885
US-20040224981-A1 Antibacterial methods and compositions AARS1, NOP2, NSUN3 MAPT 3190/4885ALDH1A1 3226/4885HSD17B10 1517/4885
US-20050009833-A1 Substituted thiophenes with antibacterial activity TST, MTR, NSUN3 MAPT 3041/4885ALDH1A1 2285/4885HSD17B10 1775/4885
US-20150290191-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors PDE10A, PDE3B, PDE12 MAPT 256/4885ALDH1A1 47/4885HSD17B10 38/4885
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A MAPT 4629/4885ALDH1A1 2988/4885HSD17B10 3796/4885

“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.