SCHEMBL25798194

SCHEMBL25798194

C=C(N)SC(c1ccccc1)c1nc2ccccc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 5/20 0.52
▸ POLB P06746 3/20 0.50
▸ KMT2A Q03164 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ HTT P42858 2/20 0.45
▸ PLAUR Q03405 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MAPK10 P53779 2/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL24133840 0.88 HPGD (0.56) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL17817678 0.80 ALDH1A1 (0.53) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL31707340 0.75 KDM4E (0.72) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL23016847 0.73 ALDH1A1 (0.48) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL17817582 0.72 KDM4E (0.59) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL28444260 0.72 HPGD (0.69) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL17817598 0.71 KDM4E (0.58) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL12774630 0.71 CYP2D6 (0.42) HPGDKDM4ELMNACYP3A4HIF1A
SCHEMBL28550309 0.70 ALDH1A1 (0.60) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL5798716 0.69 KDM4E (0.55) HPGDKDM4EALDH1A1MAPTPOLB

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 HPGD 2304/4885KDM4E 2447/4885ALDH1A1 4341/4885

“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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