SCHEMBL271827

SCHEMBL271827

Ic1nccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.56
CYP2A6 P11509 2/20 0.56
F12 P00748 1/20 0.56
NCF1 P14598 1/20 0.56
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
BACE1 P56817 1/20 0.56
PLG P00747 1/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 2/20 0.44
APEX1 P27695 1/20 0.44

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
Iodide SCHEMBL28799386 0.98 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
SCHEMBL26873050 0.83 CYP3A4 (0.61) PLAUCYP2A6F12NCF1NOS3
SCHEMBL26873036 0.83 PLAU (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL199273 0.75 PLAU (0.60) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29923403 0.75 PLAU (0.60) PLAUCYP2A6F12NCF1NOS3
SCHEMBL18544822 0.74 CLK1 (0.44) PLAUCYP2A6F12NCF1NOS3
SCHEMBL24663121 0.73 CYP2A6 (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL30522769 0.73 PLAU (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4797349 0.73 PLAU (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL18574559 0.73 NOS1 (0.35) PLAUNOS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145616-B Nitrogen-containing heteroaryl compounds and the purposes in increase endogenous erythropoietin thereof FIBROGEN INC. (US) 2015-09-30 CN claimed
CN-103145616-A Novel nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN INC 2013-06-12 CN claimed
CN-118666739-A Synthesis method of titanium-catalyzed bipyridine compound and analogue 北京师范大学 2024-09-20 CN disclosed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
WO-2024144243-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed
CN-117247352-A Method for synthesizing selenized isoquinolone derivative based on photocatalysis and application 上海陶术生物科技有限公司 2023-12-19 CN disclosed
EP-3925952-B1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN TARGETED HIGH-AFFINITY AGENTS FOR ENDORADIOTHERAPY OF PROSTATE CANCER UNIV JOHNS HOPKINS (US) 2023-11-29 EP disclosed
WO-2023221346-A1 ORGANOMETALLIC COMPOUND AND USE THEREOF, LIGHT-EMITTING DEVICE AND LIGHT-EMITTING APPARATUS 吉林奥来德光电材料股份有限公司 2023-11-23 WO disclosed
CN-117042766-A Method of applying a tumor therapeutic field in combination with a therapeutic agent for treating cancer 得克萨斯大学体系董事会 2023-11-10 CN disclosed
US-11793063-B2 Condensed-cyclic compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-17 US disclosed
CN-114805204-B Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2023-09-15 CN disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed
CN-1046903-A Process for preparing heterocyclic ether derivatives ICI PLC (GB) 1990-11-14 CN disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP 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 (1 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-11793063-B2 Condensed-cyclic compound and organic light emitting device including the same CRY1, CRY2, CCNE2 PLAU 3354/4885CYP2A6 2286/4885F12 2849/4885

“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.