SCHEMBL3619236

SCHEMBL3619236

CC(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
ABCC8 Q09428 1/20 0.64
KCNJ11 Q14654 1/20 0.64
TSHR P16473 1/20 0.59
CA2 P00918 6/20 0.55
CA1 P00915 5/20 0.55
CA5A P35218 3/20 0.55
CA7 P43166 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA3 P07451 2/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
CA13 Q8N1Q1 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA11 O75493 1/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL17251853 0.82 CA2 (0.58) RXFP1MEN1KMT2ATSHRCA2
SCHEMBL12182123 0.81 RXFP1 (0.63) RXFP1MEN1KMT2AABCC8KCNJ11
SCHEMBL9870797 0.79 KMT2A (0.51) RXFP1MEN1KMT2AABCC8KCNJ11
SCHEMBL17239924 0.78 KMT2A (0.69) MEN1KMT2ATSHRCA2CA1
SCHEMBL28419436 0.77 CA2 (0.64) RXFP1MEN1KMT2AABCC8KCNJ11
Acetazolamide SCHEMBL9748691 0.76 CA2 (0.76) MEN1KMT2ACA2CA1CA5A
Acetazolamide SCHEMBL7896156 0.75 CA2 (0.73) MEN1KMT2ACA2CA1CA5A
SCHEMBL9893004 0.73 CSNK2A2 (0.74) RXFP1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL13764431 0.73 CA2 (0.76) RXFP1MEN1KMT2ACA2CA1
SCHEMBL18100211 0.73 CA1 (0.72) MEN1KMT2ACA2CA1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US claimed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 WO 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-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN RXFP1 208/4885MEN1 83/4885KMT2A 967/4885
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 RXFP1 1007/4885MEN1 4545/4885KMT2A 3495/4885

“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.