SCHEMBL24795817

SCHEMBL24795817

C[C@@H](Sc1nc2ccccc2s1)c1noc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ HPGD P15428 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ FBP1 P09467 2/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ MC5R P33032 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CCR2 P41597 1/20 0.45

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
SCHEMBL24191146 0.76 LOXL2 (0.44) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL9357068 0.75 HPGD (0.56) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL24796171 0.74 CA12 (0.48) ALDH1A1HSD17B10ALOX15TDP1LMNA
SCHEMBL10927242 0.74 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL24795820 0.72 HIF1A (0.36) ALDH1A1CYP1A2HIF1ALMNACYP2D6
SCHEMBL28970350 0.72 HIF1A (0.36) ALDH1A1CYP1A2HIF1ALMNACYP2D6
SCHEMBL7628317 0.71 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL22292430 0.71 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL7633187 0.71 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL24795819 0.71 RAB9A (0.57) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19

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
US-20230202991-A1 BENZISOXAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-06-29 — — US disclosed
US-20230202991-A1 BENZISOXAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-06-29 — — US disclosed
EP-4180090-A1 BENZISOXAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-05-17 — — EP disclosed
US-11535599-B2 Benzisoxazole derivative Sumitomo Pharma Co., Ltd. (JP) 2022-12-27 — — 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-11535599-B2 Benzisoxazole derivative HDAC3, GABRA5, HDAC2 ALDH1A1 353/4885HPGD 1328/4885HSD17B10 700/4885
US-20230202991-A1 BENZISOXAZOLE DERIVATIVE HDAC3, GABRA5, HDAC2 ALDH1A1 353/4885HPGD 1328/4885HSD17B10 700/4885

“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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