SCHEMBL1289600

SCHEMBL1289600

COc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 4/20 0.48
BACE1 P56817 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
RAF1 P04049 1/20 0.44
GFER P55789 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
SCHEMBL7649455 0.87 PTPN1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL5219494 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL5051522 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3105068 0.86 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3596655 0.84 MAPT (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28583392 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL9583679 0.84 MAPT (0.64) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL11341366 0.84 NPC1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL5005582 0.84 MAPT (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL16094929 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524146-A1 MRNA CAP ANALOG AND METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING MRNA, AND KIT YAMASA CORPORATION (JP) 2025-03-19 EP disclosed
CN-118724680-A Preparation method of p-hydroxystyrene 河北科技大学 2024-10-01 CN disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-117843515-A Aromatic amino acid derivative as LAT1 inhibitor and preparation method and application thereof 中国药科大学 2024-04-09 CN disclosed
WO-2023219114-A1 MRNA CAP ANALOG AND METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING MRNA, AND KIT ヤマサ醤油株式会社 2023-11-16 WO disclosed
WO-2023219114-A1 MRNA CAP ANALOG AND METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING MRNA, AND KIT ヤマサ醤油株式会社 2023-11-16 WO disclosed
CN-116462795-A Film forming resin, chemical amplification type ultraviolet positive photoresist and use method thereof 华中科技大学 2023-07-21 CN disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
WO-2004062665-A1 HETEROARYL- SUBSTITUTED PYRROLO` 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-07-29 WO disclosed
US-5872129-A REACTING AROMATIC ALPHA-METHYL HALIDES WITH N-ALKYL OR N-ARYLDIETHANOLAMINES TO GIVE QUATERNARY DIOLS AND CONVERTING DIOLS TO HALOGEN OR SULFONATE DERIVATIVES BY TREATING WITH SULFONYL CHLORIDE; ANTITUMOR BLOOD FLOW AGENT AUCKLAND UNISERVICES LIMITED (NZ) 1999-02-16 US disclosed
US-5691371-A ANTITUMOR AND -CARCINOGENIC AGENTS; PRODRUGS BIOREDUCED TO RELEASE A CYTOTOXIN, A MECHLORETHAMINE DERIVATIVE; WATER SOLUBLE AUCKLAND UNISERVICES LIMITED (NZ) 1997-11-25 US disclosed
EP-0700376-A4 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LTD (NZ) 1996-05-22 EP disclosed
EP-0700376-A1 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 1996-03-13 EP disclosed
WO-1994027954-A1 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 1994-12-08 WO disclosed
US-4269933-A PHOTOLITHOGRAPHY; POSITIVE AND NEGATIVE IMAGES; POLYMERIZATION OF A UNSATURATED POLYESTER USING A PHOTOSENSITIVE FREE RADICAL SYSTEM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
US-4268510-A DEMETHANIZATION, METABOLISM, RUMEN IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US disclosed
EP-0010348-A1 Heterocyclic trichloromethyl derivatives, process for their preparation and their use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 EP disclosed
US-4198242-A Photopolymerizable composition containing an o-nitroaromatic compound as photoinhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 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 (2 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 ALDH1A1 1598/4885SMN1; SMN2 3957/4885NPC1 2194/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885SMN1; SMN2 3957/4885NPC1 2194/4885

“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.