SCHEMBL29945199

SCHEMBL29945199

O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
GPR119 Q8TDV5 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.44
DRD4 P21917 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.40
ME2 P23368 3/20 0.40
ME1 P48163 3/20 0.40
ME3 Q16798 3/20 0.40
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL20639686 0.84 GPR119 (0.48) GAAMAPTHTTGPR119
SCHEMBL6174267 0.84 GPR119 (0.48) GAAMAPTALDH1A1HTTLMNA
SCHEMBL14884466 0.84 GPR119 (0.48) GAAMAPTHTTLMNAGPR119
SCHEMBL3034991 0.83 GPR119 (0.45) MAPTALDH1A1HTTLMNAGPR119
SCHEMBL3117217 0.80 MAPT (0.52) GAAMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6174262 0.78 ALDH1A1 (0.47) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL7887520 0.77 DRD4 (0.60) KDM4EMAPTALDH1A1DRD4USP2
SCHEMBL3173639 0.77 MAPT (0.61) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL7341982 0.76 MAPT (0.56) MAPTALDH1A1HTTLMNAGPR119
SCHEMBL6174590 0.76 RAB9A (0.53) KDM4EMAPTALDH1A1HTTLMNA

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-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
CN-115536602-A Preparation method of posaconazole intermediate 成都海博为药业有限公司 2022-12-30 CN disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 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-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR GAA 1408/4885KDM4E 2405/4885MAPT 3556/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 GAA 4299/4885KDM4E 3294/4885MAPT 2130/4885

“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.