SCHEMBL20378944

SCHEMBL20378944

Cc1ccc(C2=NN=C(N)SC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ ALDH1A1 P00352 6/20 0.48
▸ POLB P06746 2/20 0.48
▸ HPGD P15428 2/20 0.42
▸ HK1 P19367 2/20 0.42
▸ HKDC1 Q2TB90 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 6/20 0.40
▸ GAA P10253 2/20 0.40
▸ BCHE P06276 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL20378953 0.81 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20378948 0.81 RAB9A (0.49) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Bromide SCHEMBL7464206 0.80 NPC1 (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Bromide SCHEMBL7477025 0.80 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20378791 0.77 NPC1 (0.49) MAPTSMN1; SMN2NPC1RAB9AGAA
Bromide SCHEMBL20378968 0.77 RAB9A (0.49) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20379019 0.74 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18388773 0.74 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL18388738 0.73 SMN1; SMN2 (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5567189 0.71 KDM4E (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 MAPT 103/4885SMN1; SMN2 2798/4885NPC1 777/4885

“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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