SCHEMBL26764564

SCHEMBL26764564

Cc1ccc2[nH]c(CSc3nc4sc(C)cc4c(=O)n3-c3ccccc3F)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TGM2 P21980 1/20 0.37

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
SCHEMBL26762394 0.92 ALDH1A1 (0.48) ALDH1A1MAPTHTTRXFP1NPSR1
SCHEMBL26763552 0.77 ALDH1A1 (0.62) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL26762398 0.70 ALDH1A1 (0.73) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL26762583 0.69 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL9667095 0.63 NPC1 (0.71) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL9671660 0.63 PDE7A (0.67) ALDH1A1MAPTNPSR1KDM4ESMN1; SMN2
SCHEMBL9665330 0.63 RAB9A (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL15693607 0.61 SMN1; SMN2 (0.71) ALDH1A1MAPTHTTRXFP1NPSR1
SCHEMBL26762393 0.60 SMN1; SMN2 (0.42) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL1129287 0.60 MAPT (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A

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 752/4885MAPT 4405/4885HTT 733/4885

“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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