SCHEMBL3738440

SCHEMBL3738440

COc1ccc(OCc2nnc(N)s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
HPGD P15428 2/20 0.67
LMNA P02545 2/20 0.67
RAB9A P51151 3/20 0.66
POLB P06746 2/20 0.58
MAPT P10636 3/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL25153608 0.87 RAB9A (0.70) ALDH1A1HPGDLMNARAB9APOLB
SCHEMBL26088783 0.84 LMNA (0.65) ALDH1A1HPGDLMNARAB9APOLB
SCHEMBL30287502 0.84 LMNA (0.65) ALDH1A1HPGDLMNARAB9APOLB
SCHEMBL3733443 0.83 RAB9A (0.61) ALDH1A1HPGDLMNARAB9APOLB
SCHEMBL3727157 0.83 MEN1 (0.72) ALDH1A1HPGDLMNARAB9APOLB
SCHEMBL5446313 0.83 RAB9A (0.66) ALDH1A1HPGDLMNARAB9APOLB
SCHEMBL25153570 0.81 RAB9A (0.58) ALDH1A1HPGDLMNARAB9APOLB
SCHEMBL10007616 0.80 ALDH1A1 (1.00) ALDH1A1HPGDLMNAPOLBMAPT
SCHEMBL25153666 0.80 LMNA (0.59) ALDH1A1HPGDLMNARAB9APOLB
SCHEMBL25153688 0.80 LMNA (0.71) ALDH1A1HPGDLMNARAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055930-A Thiadiazole derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-17 CN disclosed
WO-2023061415-A1 THIADIAZOLYL DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-04-20 WO disclosed
WO-2023061415-A1 THIADIAZOLYL DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-04-20 WO disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 458/4885HPGD 203/4885LMNA 2761/4885

“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.