SCHEMBL29577484

SCHEMBL29577484

O=[N+]([O-])c1ncccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 5/20 0.45
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
CASP6 P55212 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE10A Q9Y233 1/20 0.43
MAPK1 P28482 2/20 0.42
S1PR4 O95977 1/20 0.41
NPC1 O15118 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
SCHEMBL251801 1.00 MAPT (0.45) MAPTALDH1A1POLBL3MBTL1MEN1
Benzene SCHEMBL28231880 0.98 MEN1 (0.45) MAPTALDH1A1POLBL3MBTL1MEN1
SCHEMBL294121 0.77 PDE10A (0.58) MAPTALDH1A1POLBL3MBTL1MEN1
SCHEMBL29579675 0.77 PDE10A (0.58) MAPTALDH1A1POLBL3MBTL1MEN1
SCHEMBL5643188 0.77 PDE10A (0.48) MAPTALDH1A1POLBL3MBTL1MEN1
SCHEMBL488820 0.76 KMT2A (0.58) MAPTALDH1A1POLBL3MBTL1MEN1
SCHEMBL541486 0.75 NPC1 (0.51) MAPTALDH1A1POLBL3MBTL1MEN1
SCHEMBL799695 0.75 ALDH1A1 (0.51) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL21847263 0.75 KMT2A (0.43) MAPTALDH1A1POLBL3MBTL1MEN1
SCHEMBL601835 0.75 HTT (0.50) MAPTALDH1A1POLBL3MBTL1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072117-A1 HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS AND ISOTOPOLOGUES THEREOF NUVALENT, INC. (US) 2025-04-03 WO disclosed
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
US-20240391874-A1 NOVEL, SAFE, ECONOMICAL AND AN EFFICIENT PROCESS FOR PREPARATION OF 3-FLUORO-2-NITRO PYRIDINE OF FORMULA I AASTRID LIFE SCIENCES PVT. LTD. (IN) 2024-11-28 US disclosed
US-20240391874-A1 NOVEL, SAFE, ECONOMICAL AND AN EFFICIENT PROCESS FOR PREPARATION OF 3-FLUORO-2-NITRO PYRIDINE OF FORMULA I AASTRID LIFE SCIENCES PVT. LTD. (IN) 2024-11-28 US disclosed
EP-4251612-A1 NOVEL, SAFE, ECONOMICAL AND AN EFFICIENT PROCESS FOR PREPARATION OF 3-FLUORO-2-NITRO PYRIDINE OF FORMULA I Aastrid Life Sciences Pvt. Ltd. (IN) 2023-10-04 EP disclosed
WO-2023119308-A1 NOVEL, SAFE, ECONOMICAL AND AN EFFICIENT PROCESS FOR PREPARATION OF 3-FLUORO-2-NITRO PYRIDINE OF FORMULA I AASTRID LIFE SCIENCES PVT. LTD. (IN) 2023-06-29 WO disclosed
EP-4146205-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS Nuvalent, Inc. (US) 2023-03-15 EP disclosed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
EP-4054583-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-09-14 EP disclosed
EP-3983078-A1 NEXT-GENERATION MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-04-20 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-20240391874-A1 NOVEL, SAFE, ECONOMICAL AND AN EFFICIENT PROCESS FOR PREPARATION OF 3-FLUORO-2-NITRO PYRIDINE OF FORMULA I AFF1, SCN1B, AFF2 MAPT 3357/4885ALDH1A1 1077/4885POLB 1048/4885

“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.