SCHEMBL30196027

SCHEMBL30196027

CC(C)(C)OC(=O)Nc1c[nH]c2ccc(F)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
HTR2A P28223 2/20 0.35
HTR6 P50406 2/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
CDK2 P24941 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
BRAF P15056 1/20 0.33
SSTR3 P32745 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
SCHEMBL29307524 1.00 CYP17A1 (0.40) CYP17A1GPR84RXFP1MAPTSMN1; SMN2
SCHEMBL25025555 0.88 HTR1A (0.38) CYP17A1RXFP1MAPTSMN1; SMN2MEN1
SCHEMBL25025551 0.83 MAPT (0.38) CYP17A1RXFP1MAPTSMN1; SMN2MEN1
SCHEMBL30218688 0.76 GABRA1 (0.44) GPR84RXFP1MAPTSMN1; SMN2MEN1
SCHEMBL30218670 0.76 MAPT (0.42) RXFP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23168153 0.76 CYP17A1 (0.39) CYP17A1GPR84RXFP1MAPTSMN1; SMN2
SCHEMBL31324602 0.76 CYP17A1 (0.39) CYP17A1GPR84RXFP1MAPTSMN1; SMN2
Water SCHEMBL28521947 0.75 GABRA1 (0.44) GPR84RXFP1MAPTSMN1; SMN2MEN1
SCHEMBL30218664 0.74 NR4A2 (0.52) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31146152 0.73 CYP17A1 (0.44) CYP17A1RXFP1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119301100-A Novel 1, 2-diaminobenzimidazole derivatives 卡尔那生物科学株式会社 2025-01-10 CN disclosed
US-12037325-B2 1,2-diaminobenzimidazole derivative CARNA BIOSCIENCES, INC. (JP) 2024-07-16 US disclosed
EP-4373811-A1 NOVEL 1,2-DIAMINOBENZIMIDAZOLE DERIVATIVE Carna Biosciences, Inc. (JP) 2024-05-29 EP disclosed
US-20230097964-A1 NOVEL 1,2-DIAMINOBENZIMIDAZOLE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2023-03-30 US disclosed
WO-2023002246-A1 NOVEL 1,2-DIAMINOBENZIMIDAZOLE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2023-01-26 WO 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-12037325-B2 1,2-diaminobenzimidazole derivative STING1, TBK1, IRF3 CYP17A1 4046/4885GPR84 219/4885RXFP1 630/4885
US-20230097964-A1 NOVEL 1,2-DIAMINOBENZIMIDAZOLE DERIVATIVE STING1, IRF3, TBK1 CYP17A1 3784/4885GPR84 319/4885RXFP1 588/4885

“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.