SCHEMBL20378948

SCHEMBL20378948

CC(C)c1ccc(C2=NN=C(N)SC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.49
▸ NPC1 O15118 8/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NISCH Q9Y2I1 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ MMP2 P08253 4/20 0.33
▸ MMP8 P22894 4/20 0.33
▸ MMP12 P39900 4/20 0.33
▸ MMP14 P50281 4/20 0.33
▸ MMP1 P03956 3/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33

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
Bromide SCHEMBL7464206 0.79 NPC1 (0.55) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL20378953 0.77 MAPT (0.51) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL20379019 0.77 MAPT (0.56) RAB9ANPC1SMN1; SMN2MAPTKDM4E
Bromide SCHEMBL7477025 0.76 MAPT (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL20378791 0.73 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTMMP2
Bromide SCHEMBL20378968 0.73 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL18388773 0.70 MAPT (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL18388771 0.69 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTNOTUM
Bromide SCHEMBL20378840 0.68 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTNOTUM
SCHEMBL13002762 0.67 MAPT (0.36) RAB9ANPC1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2018-07-19 — — 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 (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-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS NAT1, DPM1, IL4I1 RAB9A 4041/4885NPC1 777/4885SMN1; SMN2 2798/4885

“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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