SCHEMBL24815708

SCHEMBL24815708

COc1ccc2c(c1)CN(C(=O)CSc1nccs1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RYR2 Q92736 3/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL26845894 0.85 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2FBP1USP2
SCHEMBL24816150 0.85 NAMPT (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL29986867 0.85 NAMPT (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL24814435 0.84 HSD17B3 (0.43) ALDH1A1KDM4ESMN1; SMN2FBP1ESR1
SCHEMBL24815712 0.83 MAOB (0.41) ALDH1A1KDM4ESMN1; SMN2FBP1RAB9A
SCHEMBL24815709 0.83 NAMPT (0.44) ALDH1A1SMN1; SMN2ROCK1RAB9AGAA
SCHEMBL29986261 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9AGAA
SCHEMBL24814434 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9AGAA
SCHEMBL24815667 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2FBP1RAB9A
SCHEMBL24816166 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2FBP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-11-28 — — US disclosed
US-20220411418-A1 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2022-12-29 — — US disclosed
WO-2022251343-A2 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2022-12-01 — — 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-20220411418-A1 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF CISD2, CISD1, FECH ALDH1A1 3533/4885KDM4E 4143/4885SMN1; SMN2 1176/4885
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof CISD2, CISD1, FECH ALDH1A1 3533/4885KDM4E 4143/4885SMN1; SMN2 1176/4885

“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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