SCHEMBL22456471

SCHEMBL22456471

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
CRHBP P24387 2/20 0.67
CRHR2 Q13324 2/20 0.67
GAA P10253 2/20 0.67
LMNA P02545 1/20 0.67
ALDH1A1 P00352 5/20 0.65
WNK1 Q9H4A3 1/20 0.63
MIF P14174 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTR6 P50406 2/20 0.55
KAT2B Q92831 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL22456085 0.90 MAPT (0.64) MAPTCRHBPCRHR2GAALMNA
SCHEMBL22456761 0.87 KAT2B (0.57) MAPTCRHBPCRHR2GAALMNA
SCHEMBL22456558 0.85 MAPT (0.64) MAPTCRHBPCRHR2GAALMNA
SCHEMBL9535419 0.84 POLB (0.69) MAPTCRHBPCRHR2GAALMNA
SCHEMBL22455915 0.84 MAPT (0.63) MAPTCRHBPCRHR2GAALMNA
SCHEMBL9698164 0.82 MAPT (0.63) MAPTCRHBPCRHR2GAALMNA
SCHEMBL15717032 0.81 MAPT (0.63) MAPTCRHBPCRHR2GAALMNA
SCHEMBL22440874 0.81 WNK1 (0.72) MAPTCRHBPCRHR2GAALMNA
SCHEMBL22456609 0.78 NPC1 (0.62) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL1038903 0.78 MAPT (0.67) MAPTCRHBPCRHR2GAALMNA

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 2 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-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 (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 4738/4885CRHBP 4093/4885CRHR2 4045/4885
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 4738/4885CRHBP 4093/4885CRHR2 4045/4885

“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.