SCHEMBL19863727

SCHEMBL19863727

CCc1c(C)[nH]c(C(C)C)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPT P10636 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24423742 0.80 HTT (0.34) HSD17B10KDM4EALDH1A1HPGDALOX15
SCHEMBL11647885 0.69 HSD17B10 (0.48) HSD17B10KDM4EALDH1A1HPGDALOX15
SCHEMBL25539514 0.68
SCHEMBL15162590 0.67 MAPT (0.38) HSD17B10KDM4EALDH1A1HPGDALOX15
SCHEMBL10278091 0.67 HSD17B10 (0.42) HSD17B10KDM4EALDH1A1HPGDALOX15
SCHEMBL24837578 0.67 HSD17B10 (0.31) HSD17B10
SCHEMBL23607027 0.66 PDE3B (0.33)
SCHEMBL24838142 0.65
SCHEMBL25132240 0.65
SCHEMBL11648099 0.64 HSD17B10 (0.40) HSD17B10KDM4EALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-10239830-B2 Benzenesulfonamide upregulators of NPC1 for Neimann-Pick disease and other lysosomal storage disorders ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-03-26 US disclosed
US-RE46974-E1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-20180044286-A1 BENZENESULFONAMIDE UPREGULATORS OF NPC1 FOR NEIMANN-PICK DISEASE AND OTHER LYSOSOMAL STORAGE DISORDERS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-02-15 US disclosed
US-20180044286-A1 BENZENESULFONAMIDE UPREGULATORS OF NPC1 FOR NEIMANN-PICK DISEASE AND OTHER LYSOSOMAL STORAGE DISORDERS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-02-15 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 (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-10239830-B2 Benzenesulfonamide upregulators of NPC1 for Neimann-Pick disease and other lysosomal storage disorders GBA1, NPC1, NPC1L1 HSD17B10 1965/4885KDM4E 2333/4885ALDH1A1 2497/4885
US-20180044286-A1 BENZENESULFONAMIDE UPREGULATORS OF NPC1 FOR NEIMANN-PICK DISEASE AND OTHER LYSOSOMAL STORAGE DISORDERS GBA1, NPC1, NPC1L1 HSD17B10 1965/4885KDM4E 2333/4885ALDH1A1 2497/4885

“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.