SCHEMBL26763552

SCHEMBL26763552

Cc1ccc2[nH]c(CSc3nc4sc(C)cc4c(=O)n3Cc3ccco3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.62
▸ NPSR1 Q6W5P4 8/20 0.62
▸ USP2 O75604 7/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ CREBBP Q92793 1/20 0.62
▸ TSHR P16473 11/20 0.58
▸ POLB P06746 2/20 0.58
▸ HSD17B10 Q99714 5/20 0.58
▸ HTT P42858 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ HPGD P15428 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ MAPK1 P28482 5/20 0.56
▸ LMNA P02545 12/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ IDE P14735 2/20 0.53

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
SCHEMBL26762398 0.92 ALDH1A1 (0.73) ALDH1A1NPSR1USP2KDM4ECREBBP
SCHEMBL26764564 0.77 ALDH1A1 (0.44) ALDH1A1NPSR1USP2KDM4ECREBBP
SCHEMBL26762394 0.69 ALDH1A1 (0.48) ALDH1A1NPSR1USP2KDM4ECREBBP
SCHEMBL18036488 0.65 TPH2 (0.87) ALDH1A1USP2MAPK1
SCHEMBL15731850 0.64 ALDH1A1 (0.64) ALDH1A1NPSR1USP2KDM4ETSHR
SCHEMBL30919384 0.64 USP2 (0.61) ALDH1A1NPSR1USP2KDM4ECREBBP
SCHEMBL15708668 0.64 USP2 (0.61) ALDH1A1NPSR1USP2KDM4ECREBBP
SCHEMBL9665330 0.61 RAB9A (0.52) ALDH1A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL6247201 0.61 TSHR (0.73) ALDH1A1NPSR1KDM4ETSHRPOLB
SCHEMBL9667095 0.59 NPC1 (0.71) ALDH1A1KDM4EPOLBHSD17B10MAPT

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-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS The University of Pittsburgh- of the Commonwealth System of Higher Education 2023-11-09 — — 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-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS AHR, ARNT, MTNR1A ALDH1A1 752/4885NPSR1 390/4885USP2 2037/4885

“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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