SCHEMBL12075481

SCHEMBL12075481

CC(C)(C)c1ccc(S(=O)(=O)NC2CN(C(=N)N)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 5/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
MEN1 O00255 3/20 0.42
UQCRB P14927 2/20 0.42
MAPT P10636 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
F10 P00742 1/20 0.41
SLC1A2 P43004 1/20 0.40
HSD17B2 P37059 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL20082475 0.85 ALDH1A1 (0.54) KMT2AALDH1A1MEN1CA1CA2
SCHEMBL17277539 0.82 KIT (0.43) KMT2AALDH1A1HRH2HRH1MEN1
SCHEMBL9906394 0.77 KMT2A (0.66) KMT2AALDH1A1MEN1CYP3A4HPGD
SCHEMBL12169400 0.74 SMN1; SMN2 (0.68) KMT2AALDH1A1MEN1CYP3A4HPGD
SCHEMBL12169367 0.74 SMN1; SMN2 (0.73) KMT2AALDH1A1MEN1CYP3A4HPGD
SCHEMBL12075464 0.73 KMT2A (0.65) KMT2AALDH1A1MEN1UQCRBMAPT
SCHEMBL12169393 0.73 SMN1; SMN2 (0.71) KMT2AALDH1A1MEN1CYP3A4HPGD
SCHEMBL12062220 0.73 EPHX2 (0.46) KMT2AALDH1A1HRH2HRH1MEN1
SCHEMBL12062217 0.72 TSHR (0.41) KMT2AALDH1A1HRH2HRH1MEN1
SCHEMBL12061797 0.71 KMT2A (0.58) KMT2AALDH1A1MEN1CYP3A4HPGD

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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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 (1 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT KMT2A 4518/4885ALDH1A1 1117/4885CRHBP 3479/4885

“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.