SCHEMBL5555489

SCHEMBL5555489

CCCCCCc1nc(C)cs1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
KCNH2 Q12809 1/20 0.41
ECE1 P42892 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NOS1 P29475 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADORA2A P29274 1/20 0.37
TGFBR1 P36897 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
GPR35 Q9HC97 4/20 0.36

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
SCHEMBL19304421 1.00 ALDH1A1 (0.42) ALDH1A1KCNH2ECE1KDM4ENOS1
Hydrochloric Acid SCHEMBL15526208 0.98 ALDH1A1 (0.41) ALDH1A1KCNH2ECE1KDM4ENOS1
SCHEMBL11570650 0.92 SLC6A3 (0.42) ALDH1A1ECE1NOS1SMN1; SMN2SLC6A3
SCHEMBL129530 0.84
SCHEMBL9804172 0.83 NOS1 (0.36) NOS1SMN1; SMN2
SCHEMBL7436046 0.83 NOS1 (0.36) ECE1NOS1SMN1; SMN2
SCHEMBL6235049 0.81 KCNH2 (0.50) ALDH1A1KCNH2ECE1KDM4ESLC6A3
SCHEMBL3578329 0.79 KDM4E (0.48) ALDH1A1KCNH2ECE1KDM4ESMN1; SMN2
SCHEMBL31317623 0.79 SLC6A3 (0.46) ALDH1A1KCNH2ECE1KDM4ESLC6A3
SCHEMBL28578070 0.79 SLC6A3 (0.46) ALDH1A1KCNH2ECE1KDM4ESLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
EP-1742909-A4 ANIONIC-SWEETENER-BASED IONIC LIQUIDS AND METHODS OF USE THEREOF UNIV SOUTH ALABAMA (US) 2007-10-17 EP disclosed
EP-1742909-A2 ANIONIC-SWEETENER-BASED IONIC LIQUIDS AND METHODS OF USE THEREOF University Of South Alabama (US) 2007-01-17 EP disclosed
WO-2005072376-A2 ANIONIC-SWEETENER-BASED IONIC LIQUIDS AND METHODS OF USE THEREOF UNIVERSITY OF SOUTH ALABAMA (US) 2005-08-11 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 (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-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 ALDH1A1 1457/4885KCNH2 2308/4885ECE1 2981/4885

“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.