SCHEMBL7988299

SCHEMBL7988299

Cc1ccc([N+](=O)[O-])nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL28437727 0.80 MAPT (0.48) MAPTACHEHSD17B10RAB9APOLB
SCHEMBL29580092 0.76 MAPT (0.50) MAPTRAB9APOLBALDH1A1CYP1A2
SCHEMBL10936934 0.76 MAPT (0.50) MAPTRAB9APOLBALDH1A1CYP1A2
SCHEMBL27803434 0.76 MAPT (0.49) MAPTRAB9APOLBLMNANPC1
SCHEMBL14191937 0.75 CCR1 (0.41) MAPTHSD17B10RAB9ACCR1CCR5
SCHEMBL17262089 0.74 MAPT (0.47) MAPTRAB9APOLBALDH1A1LMNA
SCHEMBL12426895 0.74 MAPT (0.47) MAPTRAB9APOLBALDH1A1LMNA
SCHEMBL135841 0.74 MAPT (0.47) MAPTRAB9APOLBALDH1A1CYP1A2
SCHEMBL169463 0.74 MAPT (0.47) MAPTRAB9APOLBKMT2A
SCHEMBL18617604 0.74 MAPT (0.47) MAPTRAB9APOLBLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 CN disclosed
CN-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 CN disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
CN-111377934-B Heterocyclic compound, preparation and application thereof 中国科学院上海药物研究所 2023-01-24 CN disclosed
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed
US-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 US disclosed
CN-114364675-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2022-04-15 CN disclosed
EP-3966213-A1 CDK INHIBITORS Qilu Regor Therapeutics Inc. (CN) 2022-03-16 EP disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed
CN-111377934-A Heterocyclic compound, preparation and application thereof 中国科学院上海药物研究所 2020-07-07 CN disclosed
WO-2011147259-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF 中国科学院上海药物研究所 (CN) 2011-12-01 WO disclosed
US-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2011-05-26 US disclosed
US-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2011-05-26 US disclosed
US-20110027178-A1 IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LIMITED (GB) 2011-02-03 US disclosed
US-20110027178-A1 IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LIMITED (GB) 2011-02-03 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed
US-4778896-A Process for the preparation of 5-chloromethylpyridines BAYER AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
EP-0260485-A1 Process for the preparation of 2-chlor-5-chloromethyl pyridine BAYER AG (DE) 1988-03-23 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 (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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 MAPT 4515/4885ACHE 2564/4885HSD17B10 2788/4885
US-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF DDT, AFF1, Q6ZSR9 MAPT 4159/4885ACHE 70/4885HSD17B10 1559/4885
US-20110027178-A1 IMAGING THE CENTRAL NERVOUS SYSTEM P2RX3, P2RX7, P2RX2 MAPT 1227/4885ACHE 1422/4885HSD17B10 3668/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAPT 3895/4885ACHE 4806/4885HSD17B10 603/4885
US-20220296595-A1 CDK INHIBITORS CDKL1, CDK9, CDK6 MAPT 2167/4885ACHE 4735/4885HSD17B10 1688/4885

“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.