SCHEMBL20099441

SCHEMBL20099441

CC(C)(C)Nc1ncn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.37

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
Hydrochloric Acid SCHEMBL1430120 0.71
SCHEMBL13670531 0.68
SCHEMBL17723544 0.65 KDM4E (0.60) ALPLSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12410814 0.64 ADRA2A (0.41) SMN1; SMN2
SCHEMBL18355749 0.62 GRM5 (0.33)
SCHEMBL22328207 0.61
SCHEMBL1091034 0.60
SCHEMBL14827602 0.60 PDPK1 (0.66) CYP1A2MAPK1
SCHEMBL2488875 0.60 ALPL (0.56) ALPLSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2592305 0.60 TSHR (0.50) ALPLKDM4EMEN1KMT2ACYP3A4

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-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 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-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 ALPL 2387/4885SMN1; SMN2 4528/4885NPC1 173/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 ALPL 2387/4885SMN1; SMN2 4528/4885NPC1 173/4885

“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.