SCHEMBL8930598

SCHEMBL8930598

CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
PKM P14618 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
AURKA O14965 1/20 0.59
PDPK1 O15530 1/20 0.59
JAK2 O60674 1/20 0.59
GMNN O75496 1/20 0.59
EGFR P00533 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL520043 0.87 KMT2A (0.66) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL30641927 0.87 KMT2A (0.66) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL26979409 0.87 RORC (0.63) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL4506462 0.85 MAPT (0.64) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL4506455 0.85 MAPT (0.64) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL9836802 0.85 MAPT (0.62) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL11448823 0.85 MAPT (0.68) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL11269623 0.84 MAPT (0.65) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL11637319 0.83 SMN1; SMN2 (0.57) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL8407519 0.83 MAPT (0.64) MAPTALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013060029-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP (US) 2013-05-02 WO disclosed
WO-2013063100-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
US-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS CELTAXSYS, INC. 2010-04-15 US disclosed
WO-1997014443-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO INTERNATIONAL B.V. (NL) 1997-04-24 WO disclosed
EP-0027646-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1984-03-07 EP disclosed
EP-0010231-B1 POLYPHOSPHAZENE POLYMERS CONTAINING N-SUBSTITUTED AMIDO AND IMIDO SUBSTITUENTS AND PROCESS FOR THEIR PREPARATION THE FIRESTONE TIRE & RUBBER COMPANY (US) 1982-12-15 EP disclosed
US-4218557-A PROTECTIVE COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-08-19 US disclosed
EP-0010231-A1 Polyphosphazene polymers containing N-substituted amido and imido substituents and process for their preparation THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-04-30 EP disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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 (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-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS PMAIP1, CDC42, DCX MAPT 4842/4885ALDH1A1 3761/4885KMT2A 4738/4885

“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.