SCHEMBL12509568

SCHEMBL12509568

COc1cccc(NC(=S)c2ccc(N=O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ MAPT P10636 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.52
▸ NLRP3 Q96P20 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ MITF O75030 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL12509646 0.85 NPC1 (0.76) RAB9ANPC1KMT2ATP53SMN1; SMN2
SCHEMBL10311786 0.83 NPC1 (0.68) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL6577711 0.83 RAB9A (0.69) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL1984342 0.79 KMT2A (0.69) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL13391935 0.79 NPC1 (0.49) RAB9ANPC1MAPTKMT2ATP53
SCHEMBL30557433 0.74 MAPT (0.81) RAB9ANPC1MAPTCYP1A2CYP2C19
SCHEMBL3822948 0.74 MAPT (0.81) RAB9ANPC1MAPTCYP1A2CYP2C19
SCHEMBL28466686 0.74 NPC1 (0.69) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL2055267 0.74 KMT2A (0.49) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL10055020 0.73 NPC1 (0.94) RAB9ANPC1KMT2ATP53SMN1; SMN2

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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 — — 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 RAB9A 2622/4885NPC1 1265/4885MAPT 1/4885

“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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