SCHEMBL17779335

SCHEMBL17779335

CC(C)CCN(CCC#N)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SLC16A3 O15427 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ MLYCD O95822 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ FNIP1 Q8TF40 1/20 0.32
▸ FEM1B Q9UK73 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PSEN1 P49768 1/20 0.31

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
SCHEMBL17774921 0.92 SLC16A3 (0.39) HTTALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL17779232 0.77 HTT (0.40) HTTALDH1A1SMN1; SMN2LMNAIKBKB
SCHEMBL17779278 0.76 IKBKB (0.41) ALDH1A1SMN1; SMN2IKBKBMEN1KMT2A
SCHEMBL17774935 0.75 IKBKB (0.42) ALDH1A1SMN1; SMN2LMNAIKBKBMEN1
SCHEMBL17774924 0.73 IKBKB (0.44) HTTALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL17774966 0.72 S100B (0.56) HTTALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL17774967 0.71 IKBKB (0.40) HTTALDH1A1SMN1; SMN2IKBKBMEN1
SCHEMBL17779285 0.71 IKBKB (0.40) HTTALDH1A1SMN1; SMN2LMNAMLYCD
SCHEMBL17774940 0.70 IKBKB (0.44) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17774973 0.70 IKBKB (0.39) HTTALDH1A1SMN1; SMN2NPC1LMNA

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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 — — 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR HTT 4143/4885ALDH1A1 440/4885SMN1; SMN2 1805/4885

“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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