SCHEMBL31427331

SCHEMBL31427331

c1cc(-c2nccs2)c2ocnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
RAB9A P51151 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.37
CYP2A6 P11509 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
AR P10275 1/20 0.36
ADRA1A P35348 3/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1B P35368 1/20 0.35
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
ADRA2A P08913 1/20 0.34
TGFBR1 P36897 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
METAP1 P53582 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL6500200 0.78 ELANE (0.41) RAB9AMTNR1AMTNR1B
SCHEMBL26259560 0.73 PDPK1 (0.54) PDPK1RAB9ALOXL2CYP2A6AR
SCHEMBL5692672 0.72 PDPK1 (0.64) PDPK1RAB9ALOXL2CYP2A6ADRA1A
SCHEMBL6843695 0.71 MTNR1A (0.33) MTNR1AMTNR1BCASP6
SCHEMBL31427417 0.71 ADORA2A (0.40) PDPK1RAB9AESR1ESR2AR
SCHEMBL1951149 0.70 PDPK1 (0.61) PDPK1RAB9ALOXL2CYP2A6ADRA1A
SCHEMBL17164239 0.70 TGFBR1 (0.50) PDPK1RAB9ACYP2A6ARTGFBR1
SCHEMBL31571147 0.70 TGFBR1 (0.50) PDPK1RAB9ACYP2A6ARTGFBR1
SCHEMBL26259717 0.68 HSD17B10 (0.54) PDPK1RAB9ALOXL2CYP2A6AR
SCHEMBL24156068 0.68 NOTUM (0.43) RAB9ACYP2A6MTNR1AMTNR1B

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-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases MEIJI SEIKA PHARMA CO., LTD. (JP) 2025-03-04 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-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases CCR1, SSB, C5 PDPK1 4615/4885RAB9A 2786/4885LOXL2 884/4885

“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.