SCHEMBL22969294

SCHEMBL22969294

COC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])C(C)(C)C(=O)N2C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 2/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSPA9 P38646 1/20 0.30
MPI P34949 1/20 0.30

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
SCHEMBL16707142 0.82 BRD4 (0.40) HCAR3BRD4
SCHEMBL19672501 0.82 BRD4 (0.40) HCAR3BRD4
SCHEMBL17254668 0.79 CRHBP (0.55) SMN1; SMN2LMNARECQLALDH1A1MAPT
SCHEMBL17254671 0.74 ESPL1 (0.40) SMN1; SMN2LMNACYP2C9CYP2C19CYP2D6
SCHEMBL2488278 0.72 TDP1 (0.56) LMNACYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL5559030 0.72 TDP1 (0.39) SMN1; SMN2LMNACYP2C9CYP2C19CYP2D6
SCHEMBL2488921 0.70 LMNA (0.51) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL19672457 0.70 BRD4 (0.39) HCAR3BRD4MAPTPOLBMEN1
SCHEMBL16703654 0.70 BRD4 (0.39) HCAR3BRD4MAPTPOLBMEN1
SCHEMBL5561741 0.68 MAPT (0.43) SMN1; SMN2LMNAALDH1A1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210038602-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-11 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-20210038602-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BRD4, MCL1, BET1 HCAR3 1489/4885SMN1; SMN2 4148/4885BRD4 1/4885

“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.