SCHEMBL23917202

SCHEMBL23917202

Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc([N+](=O)[O-])cc3)C1=N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.75
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
CYP3A4 P08684 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2D6 P10635 1/20 0.75
CYP2C9 P11712 1/20 0.75
CYP2C19 P33261 1/20 0.75
KDM4E B2RXH2 1/20 0.75
ALOX15 P16050 1/20 0.75
CASP1 P29466 1/20 0.75
MYH9 P35579 1/20 0.75
MYH10 P35580 1/20 0.75
CASP7 P55210 1/20 0.75
HBB P68871 1/20 0.75
MYH2 Q9UKX2 1/20 0.65
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL29424218 1.00 MAPT (0.75) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL19200456 1.00 MAPT (0.75) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL19200636 0.87 MEN1 (0.81) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL22512479 0.87 MEN1 (0.81) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL31218583 0.87 MEN1 (0.81) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL25466490 0.86 MEN1 (0.80) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL4330339 0.86 MEN1 (1.00) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL15919292 0.86 MEN1 (1.00) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL29438548 0.86 MEN1 (1.00) MAPTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL4330341 0.86 MEN1 (1.00) MAPTMEN1KMT2ACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227452-A1 NONMUSCLE MYOSIN II INHIBITORS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-07-20 US disclosed
US-11649234-B2 Nonmuscle myosin II inhibitors for substance use relapse THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-05-16 US disclosed
US-11649234-B2 Nonmuscle myosin II inhibitors for substance use relapse THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-05-16 US disclosed
WO-2022138700-A1 ATOPIC SKIN DISEASE AMELIORATING AGENT, EXTERNAL AGENT FOR SKIN, AND COSMETIC ピアス株式会社 2022-06-30 WO disclosed
US-20210317117-A1 NONMUSCLE MYOSIN II INHIBITORS FOR SUBSTANCE USE RELAPSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-14 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 (3 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-20230227452-A1 NONMUSCLE MYOSIN II INHIBITORS MYH2, MYO3B, MYO1B MAPT 353/4885MEN1 1652/4885KMT2A 3765/4885
US-20210317117-A1 NONMUSCLE MYOSIN II INHIBITORS FOR SUBSTANCE USE RELAPSE MYH2, MYO3B, MYO1B MAPT 441/4885MEN1 1418/4885KMT2A 3769/4885
US-11649234-B2 Nonmuscle myosin II inhibitors for substance use relapse MYH2, MYO3B, MYO1B MAPT 441/4885MEN1 1418/4885KMT2A 3769/4885

“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.