SCHEMBL22455919

SCHEMBL22455919

CC(C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.60
▸ ALDH1A1 P00352 10/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ CYP2C9 P11712 2/20 0.56
▸ LMNA P02545 4/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CTSB P07858 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL11555850 0.89 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL25870821 0.87 MAPT (0.63) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL20166477 0.81 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL25442201 0.81 MAPT (0.52) MAPTALDH1A1CYP2C9LMNAPOLB
SCHEMBL22455933 0.81 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL20279542 0.81 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL18155146 0.78 MAPT (0.58) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL5824515 0.78 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL30953903 0.78 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL30699269 0.78 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760752-B2 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 (US) 2023-09-19 — — US disclosed
US-11760752-B2 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 (US) 2023-09-19 — — US disclosed
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 — — US disclosed
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 (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-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 4738/4885ALDH1A1 353/4885SMN1; SMN2 1080/4885
US-11760752-B2 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 4738/4885ALDH1A1 353/4885SMN1; SMN2 1080/4885
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 MAPT 1086/4885ALDH1A1 3889/4885SMN1; SMN2 1672/4885

“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.

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