SCHEMBL18258252

SCHEMBL18258252

CC[C@@H]([C@H](C)O)n1ncn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL18258254 1.00 MAPT (0.35) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL19171687 1.00 MAPT (0.35) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL19171690 1.00 MAPT (0.35) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL18857002 0.82 KDM4E (0.34) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL18257784 0.80 KDM4E (0.33) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL19164687 0.80 KDM4E (0.33) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL19164693 0.80 KDM4E (0.33) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL18258266 0.79 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL12597187 0.79 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20644697 0.78 KDM4E (0.30) MAPTLMNASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839636-B2 Itraconazole analogues and methods of use thereof UNIVERSITY OF CONNECTICUT (US) 2017-12-12 — — US disclosed
US-20170209436-A1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-27 — — US disclosed
US-9650365-B2 Itraconazole analogues and methods of use thereof UNIVERSITY OF CONNECTICUT (US) 2017-05-16 — — US disclosed
US-20160340346-A1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 — — 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-20160340346-A1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF GLI1, SHH, SMO MAPT 4271/4885LMNA 4777/4885SMN1; SMN2 4459/4885
US-20170209436-A1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF GLI1, SHH, SMO MAPT 4271/4885LMNA 4777/4885SMN1; SMN2 4459/4885

“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.

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