SCHEMBL22456085

SCHEMBL22456085

Cc1ccc([N+](=O)[O-])c(NCc2ccco2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
HTR6 P50406 2/20 0.64
ALDH1A1 P00352 6/20 0.62
CRHBP P24387 2/20 0.62
CRHR2 Q13324 2/20 0.62
NPSR1 Q6W5P4 3/20 0.61
GAA P10253 3/20 0.60
MIF P14174 1/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP3A4 P08684 2/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.57
WNK1 Q9H4A3 1/20 0.54
PKM P14618 1/20 0.53
KAT2B Q92831 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL22456471 0.90 MAPT (0.67) MAPTHTR6ALDH1A1CRHBPCRHR2
SCHEMBL22455977 0.85 MAPT (0.61) MAPTHTR6ALDH1A1CRHBPCRHR2
SCHEMBL22455911 0.84 MAPT (0.60) MAPTHTR6ALDH1A1CRHBPCRHR2
SCHEMBL9538127 0.84 MAPT (0.60) MAPTHTR6ALDH1A1CRHBPCRHR2
SCHEMBL9698164 0.82 MAPT (0.63) MAPTHTR6ALDH1A1CRHBPCRHR2
SCHEMBL22440865 0.81 CA12 (0.60) MAPTHTR6ALDH1A1CRHBPCRHR2
SCHEMBL2482192 0.78 MAPT (1.00) MAPTHTR6ALDH1A1NPSR1GAA
SCHEMBL23295577 0.78 HTR6 (0.62) MAPTHTR6ALDH1A1CRHBPCRHR2
SCHEMBL27690606 0.77 MAPT (1.00) MAPTHTR6ALDH1A1NPSR1GAA
SCHEMBL22456761 0.77 KAT2B (0.57) MAPTALDH1A1CRHBPCRHR2GAA

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-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-24 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-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS MCL1, BCLAF1, BCL2A1 MAPT 4738/4885HTR6 3107/4885ALDH1A1 353/4885

“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.