SCHEMBL798520

SCHEMBL798520

CC(C)c1ccn2nc(C(C)C)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
SCN4A P35499 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL26669665 0.81 ALDH1A1 (0.33) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL21929803 0.79 AHR (0.37) ALDH1A1GAA
SCHEMBL27476855 0.75 ALDH1A1 (0.40) ALDH1A1GAALMNA
SCHEMBL15686694 0.73 SCN5A (0.40) ALDH1A1SMN1; SMN2LMNATRPA1PTGS1
SCHEMBL13086576 0.73 ALDH1A1 (0.36) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL13086389 0.72 MEN1 (0.32) ALDH1A1NPC1RAB9A
SCHEMBL21103957 0.72 NOTUM (0.36) LMNANOTUM
SCHEMBL798445 0.69 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL19619534 0.69
SCHEMBL31001773 0.69 UGT2B7 (0.34) ALDH1A1GAARAB9ALMNA

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-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 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 (3 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-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 ALDH1A1 1242/4885GAA 1686/4885NPC1 2134/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 ALDH1A1 3750/4885GAA 1336/4885NPC1 1283/4885
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS NQO2, NDUFS3, QARS1 ALDH1A1 1097/4885GAA 389/4885NPC1 1916/4885

“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.