SCHEMBL22982001

SCHEMBL22982001

O=C(NN1CCN(c2ccc(O)cc2)CC1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
DRD2 P14416 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1C3 P42330 1/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL22982793 0.84 SMN1; SMN2 (0.57) MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL23008892 0.79 SMN1; SMN2 (0.75) MAPTSMN1; SMN2AKR1C3ALDH1A1GAA
SCHEMBL22982272 0.79 MAPT (0.56) MAPTSMN1; SMN2AKR1C3ALDH1A1GAA
SCHEMBL8637476 0.78 SMN1; SMN2 (0.56) MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL7334978 0.78 CHKA (0.61) MAPTDRD2SMN1; SMN2AKR1C3ALDH1A1
SCHEMBL2989541 0.77 CYP2D6 (0.67) SMN1; SMN2ALDH1A1GAATSHR
SCHEMBL22982591 0.77 NPC1 (0.57) MAPTDRD2SMN1; SMN2GAA
SCHEMBL2999120 0.77 HTT (0.69) MAPTSMN1; SMN2ALDH1A1GAATSHR
SCHEMBL10402759 0.75 CHKA (0.50) MAPTSMN1; SMN2AKR1C3ALDH1A1GAA
SCHEMBL10402761 0.75 CHKA (0.50) MAPTSMN1; SMN2AKR1C3TSHR

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 4255/4885DRD2 4833/4885SMN1; SMN2 3996/4885
US-20220324849-A1 TRUNCATED ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF GLI1, SHH, SMO MAPT 4255/4885DRD2 4833/4885SMN1; SMN2 3996/4885

“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.