SCHEMBL20077692

SCHEMBL20077692

CC(C)Cc1ccc(CCNC(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ST14 Q9Y5Y6 2/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ IDO1 P14902 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CXCR1 P25024 1/20 0.40
▸ CXCR2 P25025 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL20000816 0.83 CA12 (0.49) CA12CA1CA2CA4CA9
SCHEMBL12997107 0.83 F10 (0.49) ST14EPHX1IDO1KMT2ALMNA
SCHEMBL20077884 0.82 EPHX1 (0.47) EPHX1ALOX5LMNACXCR1CXCR2
Hydrochloric Acid SCHEMBL28482528 0.81 F10 (0.48) ST14EPHX1IDO1KMT2ALMNA
SCHEMBL10310256 0.80 ST14 (0.49) CA1CA2ST14IDO1KMT2A
SCHEMBL18401402 0.80 ST14 (0.49) CA1CA2ST14IDO1
SCHEMBL10310202 0.80 NPC1 (0.51) CA12CA1CA2CA9ST14
SCHEMBL14012684 0.80 ST14 (0.49) CA12CA1CA2CA9ST14
SCHEMBL24670456 0.80 ST14 (0.43) CA1CA2CA9ST14EPHX1
SCHEMBL12401907 0.80 ST14 (0.51) CA1CA2ST14IDO1KMT2A

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-10344002-B2 Compositions and methods for treating metabolic disorders NUSIRT SCIENCES, INC. (US) 2019-07-09 — — US disclosed
US-20180105498-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. 2018-04-19 — — 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-10344002-B2 Compositions and methods for treating metabolic disorders LIPC, PC, PNLIP CA12 1766/4885CA1 2396/4885CA2 1375/4885
US-20180105498-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS LIPC, PC, PNLIP CA12 1766/4885CA1 2396/4885CA2 1375/4885

“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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