SCHEMBL30406342

SCHEMBL30406342

N#Cc1cncc2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.51
KDM4E B2RXH2 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PRKCQ Q04759 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 8/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
CYP11B1 P15538 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX12 P18054 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
SCHEMBL3947001 0.96 CYP11B2 (0.56) CYP11B2KDM4ESMN1; SMN2PRKCQSIGMAR1
SCHEMBL23930693 0.94 CYP11B2 (0.54) CYP11B2KDM4ESMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL30183105 0.73 PNMT (0.46) CYP11B2
SCHEMBL25281145 0.73 PNMT (0.46) CYP11B2
SCHEMBL14250618 0.73 RIPK1 (0.34) CYP11B2RIPK1
Hydrochloric Acid SCHEMBL31186539 0.72 PNMT (0.45) CYP11B2
Hydrochloric Acid SCHEMBL25281366 0.72 PNMT (0.45) CYP11B2
SCHEMBL13174575 0.71 CYP11B2 (0.40) CYP11B2SIGMAR1
SCHEMBL11584439 0.71 BCL2L1 (0.45) CYP11B2KDM4ESIGMAR1ALDH1A1MAPT
SCHEMBL1338549 0.71 MAPK1 (0.39) CYP11B2KDM4EALDH1A1CYP11B1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025102016-A1 NOVEL MOLECULES AS INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-05-15 WO claimed
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP claimed
WO-2025102016-A1 NOVEL MOLECULES AS INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-05-15 WO disclosed
WO-2024104322-A1 15-PGDH INHIBITOR 武汉人福创新药物研发中心有限公司 2024-05-23 WO disclosed
CN-118027058-A 15-PGDH inhibitors 武汉人福创新药物研发中心有限公司 2024-05-14 CN disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 CYP11B2 2054/4885KDM4E 4195/4885SMN1; SMN2 4067/4885

“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.