SCHEMBL11555850

SCHEMBL11555850

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ LMNA P02545 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ALDH1A1 P00352 9/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CTSB P07858 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 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
SCHEMBL18155146 0.89 MAPT (0.58) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL22455919 0.89 MAPT (0.60) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL10153002 0.86 GAA (0.64) MAPTL3MBTL1LMNATDP1MAPK1
SCHEMBL22455949 0.83 MAPT (0.51) MAPTL3MBTL1LMNAMAPK1ALDH1A1
SCHEMBL259406 0.81 MAPT (0.69) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL10740552 0.80 MAPT (0.52) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL2711990 0.80 MAPT (0.77) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL7800482 0.80 GAA (0.72) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL29139536 0.78 ALDH1A1 (0.75) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL690222 0.78 MAPT (0.63) MAPTKDM4EL3MBTL1LMNATDP1

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-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-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
US-4133673-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 — — US disclosed
US-4133672-A (Aminophenyl)morpholines and use thereof UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 — — 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 (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-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 4738/4885KDM4E 1872/4885L3MBTL1 977/4885
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 4738/4885KDM4E 1872/4885L3MBTL1 977/4885

“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.

Send feedback