SCHEMBL19935941

SCHEMBL19935941

CC(C)(C)CNc1cc(=O)cc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
AR P10275 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
NUDT1 P36639 1/20 0.34
MPO P05164 1/20 0.32
TPO P07202 1/20 0.32
ELANE P08246 1/20 0.31
ROCK2 O75116 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL18077509 0.79 GPR84 (0.42) ARGPR84ELANEMEN1KMT2A
SCHEMBL84651 0.71
SCHEMBL17700357 0.66 JAK2 (0.46) JAK2JAK1MEN1KMT2A
SCHEMBL571512 0.63 DAO (0.40) GPR84KMT2A
SCHEMBL28471255 0.62 NPC1 (0.39) JAK2JAK1ROCK2MEN1KMT2A
SCHEMBL25533401 0.62 HRH3 (0.38) NUDT1MEN1KMT2A
SCHEMBL16487279 0.61 AR (0.38) ARNUDT1MEN1KMT2A
SCHEMBL2632908 0.61
SCHEMBL23943143 0.60 NUDT1 (0.35) NUDT1
SCHEMBL3749300 0.60 AR (0.39) JAK2JAK1ARNUDT1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947237-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2021-03-16 US disclosed
US-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same MELINTA THERAPEUTICS, INC. 2018-03-08 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-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT JAK2 3632/4885JAK1 3114/4885AR 4680/4885
US-10947237-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT JAK2 3632/4885JAK1 3114/4885AR 4680/4885

“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.