SCHEMBL3229406

SCHEMBL3229406

CC(C)(C)Nc1cc(C(C)(C)C)nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ SYK P43405 3/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PLK1 P53350 1/20 0.32
▸ IDH2 P48735 1/20 0.32

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
SCHEMBL3261030 0.90 P2RY1 (0.39) CA12CA1CA2CA9NPC1
SCHEMBL3234022 0.85 SYK (0.42) AKR1C1NPC1SYKRAB9APLK1
SCHEMBL3237861 0.84 IDO1 (0.35) CA12CA1CA2CA9AKR1C1
Dimethylamine SCHEMBL3266676 0.83 SYK (0.40) AKR1C1NPC1SYKRAB9APLK1
SCHEMBL3264006 0.82 SYK (0.42) AKR1C1NPC1SYKALDH1A1RAB9A
SCHEMBL3265292 0.80 SYK (0.43) NPC1SYKRAB9APLK1IDH2
SCHEMBL3420411 0.80 CA12 (0.36) CA12CA1CA2CA9NPC1
SCHEMBL3232862 0.79 CYP1A2 (0.38) CYP26A1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3262310 0.78 ABCG2 (0.43) AKR1C1NPC1MEN1KMT2ARAB9A
SCHEMBL3263101 0.78 SYK (0.41) NPC1SYKALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 CA12 3774/4885CA1 3986/4885CA2 2044/4885

“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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