SCHEMBL22982272

SCHEMBL22982272

O=C(NN1CCN(c2ccc(O)cc2)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
ALDH1A1 P00352 6/20 0.54
LMNA P02545 3/20 0.53
GAA P10253 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.53
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
MAPK1 P28482 1/20 0.49
AKR1C3 P42330 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
SCHEMBL3891177 0.83 MAPT (0.70) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL5696791 0.81 MAPT (0.59) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL23008882 0.80 ESR1 (0.66) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL22982001 0.79 MAPT (0.52) MAPTALDH1A1GAASMN1; SMN2ESR1
SCHEMBL7972510 0.77 ALDH1A1 (0.66) MAPTALDH1A1LMNAKMT2ATDP1
SCHEMBL15271381 0.75 SIRT6 (0.81) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL6151230 0.75 SIRT6 (0.81) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL16026508 0.74 ALDH1A1 (0.70) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL7959106 0.73 HSD11B1 (0.61) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL22982837 0.72 POLB (0.47) MAPTALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435067-B2 Truncated itraconazole analogues and methods of use thereof UNIVERSITY OF CONNECTICUT (US) 2025-10-07 US disclosed
US-20220324849-A1 TRUNCATED ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2022-10-13 US disclosed
WO-2021030174-A1 TRUNCATED ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2021-02-18 WO 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-12435067-B2 Truncated itraconazole analogues and methods of use thereof GLI1, SHH, SMO MAPT 4255/4885ALDH1A1 3227/4885LMNA 4328/4885
US-20220324849-A1 TRUNCATED ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF GLI1, SHH, SMO MAPT 4255/4885ALDH1A1 3227/4885LMNA 4328/4885

“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.