SCHEMBL20892445

SCHEMBL20892445

COc1cccc(CSc2nc3ccccc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.56
▸ NPC1 O15118 6/20 0.56
▸ LMNA P02545 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ TP53 P04637 2/20 0.56
▸ MAPT P10636 9/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ HTT P42858 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2D6 P10635 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ KMT2A Q03164 4/20 0.52

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
SCHEMBL19403518 0.90 MAPT (0.56) RAB9ANPC1LMNASMN1; SMN2TP53
SCHEMBL9353698 0.85 MAPT (0.67) RAB9ANPC1LMNASMN1; SMN2TP53
SCHEMBL3077568 0.80 CYP1A2 (0.69) RAB9ANPC1LMNASMN1; SMN2TP53
SCHEMBL9353637 0.80 RAB9A (0.60) RAB9ANPC1LMNASMN1; SMN2TP53
SCHEMBL8860323 0.79 ALDH1A1 (0.61) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL27681825 0.77 MAPT (0.57) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL18443070 0.76 ELANE (0.56) RAB9ANPC1LMNASMN1; SMN2TP53
SCHEMBL18443467 0.76 MAPT (0.50) RAB9ANPC1LMNASMN1; SMN2TP53
SCHEMBL9357216 0.75 RAB9A (0.65) RAB9ANPC1LMNASMN1; SMN2TP53
SCHEMBL19385888 0.75 MAPT (0.51) RAB9ANPC1LMNASMN1; SMN2TP53

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-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 — — US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 — — 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 RAB9A 4286/4885NPC1 4616/4885LMNA 4878/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 RAB9A 4362/4885NPC1 4746/4885LMNA 4878/4885

“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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