SCHEMBL25798171

SCHEMBL25798171

CC(=N)SCc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.46
▸ SLC11A2 P49281 1/20 0.46
▸ GLA P06280 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ DAO P14920 1/20 0.44
▸ NOS1 P29475 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MEP1A Q16819 1/20 0.40
▸ MEP1B Q16820 1/20 0.40

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
SCHEMBL24133892 0.84 SLC11A2 (0.69) IDO1SLC11A2TAAR1NOS1EPHX1
SCHEMBL25798168 0.81 IDO1 (0.68) IDO1NOS1ALDH1A1MAPTTSHR
SCHEMBL4935305 0.78 GLA (0.50) GLADAOEPHX1TP53CTSB
SCHEMBL28448952 0.77 DAO (0.51) GLADAOEPHX1TP53CTSB
SCHEMBL19468248 0.75 PKM (0.44) GLADAOEPHX1TP53CTSB
SCHEMBL18893133 0.75 GLA (0.47) GLADAOEPHX1TP53CTSB
SCHEMBL15457418 0.75 IDO1 (0.70) IDO1SLC11A2TAAR1NOS1KMT2A
SCHEMBL1140195 0.74 IDO1 (0.61) IDO1SLC11A2TAAR1NOS1ALDH1A1
SCHEMBL6617065 0.74 GLA (0.54) GLAGSK3BIDH1MEP1AMEP1B
SCHEMBL18896283 0.74 DAO (0.49) GLADAOEPHX1TP53CTSB

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-20230219898-A1 COMPOUNDS AND METHODS FOR BLOCKING APOPTOSIS AND INDUCING AUTOPHAGY HARVARD COLLEGE (US) 2023-07-13 — — 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-20230219898-A1 COMPOUNDS AND METHODS FOR BLOCKING APOPTOSIS AND INDUCING AUTOPHAGY BECN1, SQSTM1, ATG7 IDO1 3758/4885SLC11A2 4694/4885GLA 2670/4885

“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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