SCHEMBL2986307

SCHEMBL2986307

COc1ccc(Br)nc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
S1PR4 O95977 7/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL31358001 1.00 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL23421995 0.89 MAPT (0.42) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30365901 0.82 NPC1 (0.49) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL187354 0.80 NPC1 (0.64) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10562972 0.80 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29561268 0.78 NPC1 (0.45) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3663316 0.78 NPC1 (0.45) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10292640 0.78 S1PR4 (0.56) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL15529186 0.78 ALDH1A1 (0.47) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL23421449 0.77 MAPT (0.47) MAPTHPGDNPC1RAB9ASMN1; 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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260048130-A1 ALPHA-V BETA-6 (avb6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS INC (US) 2026-02-19 US disclosed
US-12479834-B2 Phenol compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2025-11-25 US disclosed
WO-2025231563-A1 SUBSTITUTED TRICYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 WO disclosed
EP-4605008-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY Alnylam Pharmaceuticals, Inc. (US) 2025-08-27 EP disclosed
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof BEIGENE SWITZERLAND GMBH (CH) 2025-05-15 US disclosed
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
EP-4448513-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BeiGene Switzerland GmbH (CH) 2024-10-23 EP disclosed
CN-118401514-A 3, 4-Dihydroisoquinolin-1 (2H) -one derivatives as STING antagonists and uses thereof 百济神州有限公司 2024-07-26 CN disclosed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 US disclosed
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 US disclosed
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 US disclosed
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 US disclosed
US-20060293311-A1 e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2006-12-28 US disclosed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 WO disclosed
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 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 (7 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-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 MAPT 4098/4885HPGD 2347/4885NPC1 3504/4885
US-20260048130-A1 ALPHA-V BETA-6 (avb6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ITGB6, ITGA6, ITGA2B MAPT 4795/4885HPGD 4849/4885NPC1 3287/4885
US-20060293311-A1 e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease JAK3, JAK1, JAK2 MAPT 4206/4885HPGD 2214/4885NPC1 4010/4885
US-20070238737-A1 NOVEL COMPOUNDS FABP2, VIP, SLC10A2 MAPT 2369/4885HPGD 179/4885NPC1 50/4885
US-12479834-B2 Phenol compound or salt thereof REN, MLX, MYB MAPT 3207/4885HPGD 4260/4885NPC1 2275/4885
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E MAPT 1337/4885HPGD 1431/4885NPC1 1253/4885
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof STING1, IRF3, MAVS MAPT 4836/4885HPGD 1514/4885NPC1 3564/4885

“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.