SCHEMBL3749760

SCHEMBL3749760

Nn1cnc2sc(-c3ccccc3)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.65
▸ NPC1 O15118 11/20 0.65
▸ ALDH1A1 P00352 11/20 0.65
▸ SMN1; SMN2 Q16637 8/20 0.65
▸ NFKB1 P19838 2/20 0.65
▸ NFKB2 Q00653 2/20 0.65
▸ RELA Q04206 2/20 0.65
▸ CASP3 P42574 1/20 0.65
▸ SENP8 Q96LD8 1/20 0.65
▸ SENP7 Q9BQF6 1/20 0.65
▸ SENP6 Q9GZR1 1/20 0.65
▸ HPGD P15428 7/20 0.62
▸ LMNA P02545 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ HTT P42858 2/20 0.62
▸ GPR55 Q9Y2T6 1/20 0.62
▸ KDM4E B2RXH2 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ POLB P06746 3/20 0.61

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
SCHEMBL2999051 0.78 SMN1; SMN2 (0.78) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL14825100 0.77 NPC1 (0.86) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL10375494 0.73 RAB9A (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL3761978 0.70 SMN1; SMN2 (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL11489324 0.70 RAB9A (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL3760650 0.69 GLA (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL6033361 0.68 RAB9A (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL18954506 0.66 SMN1; SMN2 (0.66) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL4416533 0.66 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2977154 0.66 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 — — US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 RAB9A 1488/4885NPC1 377/4885ALDH1A1 1031/4885

“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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