SCHEMBL19200973

SCHEMBL19200973

O=C1c2ccc([N+](=O)[O-])cc2N=C2N(c3ccccc3)CCC12O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYH2 Q9UKX2 1/20 1.00
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CYP3A4 P08684 2/20 0.62
KDM4E B2RXH2 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALOX15 P16050 1/20 0.62
CASP1 P29466 1/20 0.62
MYH9 P35579 1/20 0.62
MYH10 P35580 1/20 0.62
CASP7 P55210 1/20 0.62
HBB P68871 1/20 0.62
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL29695613 1.00 MYH2 (1.00) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL29695618 1.00 MYH2 (1.00) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL29695657 1.00 MYH2 (1.00) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL21067621 0.83 MEN1 (0.83) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL18214930 0.82 KMT2A (0.74) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL21067295 0.82 KMT2A (0.74) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL25247212 0.80 MYH2 (0.67) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL23917036 0.80 MEN1 (0.77) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL23909337 0.80 MEN1 (0.70) MYH2MAPTMEN1KMT2ACYP3A4
SCHEMBL23909334 0.80 MEN1 (0.70) MYH2MAPTMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858357-B2 Water-soluble myosin 2 inhibitors for the treatment of neurological, neuropathic or psychiatric diseases PARIS SCIENCES ET LETTRES-QUARTIER LATIN (FR) 2020-12-08 US disclosed
US-20190084979-A1 WATER-SOLUBLE MYOSIN 2 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL, NEUROPATHIC OR PSYCHIATRIC DISEASES PARIS SCIENCES ET LETTRES (FR) 2019-03-21 US disclosed
WO-2017129782-A1 WATER-SOLUBLE MYOSIN 2 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL, NEUROPATHIC OR PSYCHIATRIC DISEASES PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) 2017-08-03 WO 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-20190084979-A1 WATER-SOLUBLE MYOSIN 2 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL, NEUROPATHIC OR PSYCHIATRIC DISEASES MYH2, MYO1B, MYO1F MYH2 1/4885MAPT 122/4885MEN1 2772/4885
US-10858357-B2 Water-soluble myosin 2 inhibitors for the treatment of neurological, neuropathic or psychiatric diseases MYH2, MYO1B, MYO1F MYH2 1/4885MAPT 122/4885MEN1 2772/4885

“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.