SCHEMBL21551950

SCHEMBL21551950

CC1(C)c2ccccc2-c2cc(Br)c(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.39
HTR2A P28223 2/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL546245 0.87 PDK2 (0.39) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL23040369 0.87 ESR1 (0.37) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL30318820 0.87 ESR1 (0.37) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL20932322 0.85 ESR1 (0.39) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL22920726 0.85 PGR (0.38) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL20615981 0.85 MEN1 (0.38) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL23076421 0.85 ALDH1A1 (0.35) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL23040362 0.85 PGR (0.38) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL24730433 0.85 PGR (0.38) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL23870792 0.85 PDK2 (0.35) PDK2HTR2AMLNRNR1I2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139809-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-04 US disclosed
US-20230139809-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-04 US disclosed
WO-2021151922-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2021-08-05 WO disclosed
WO-2019216600-A1 NOVEL OXIME ESTER COMPOUND AND PHOTORESIST COMPOSITION COMPRISING SAME 주식회사 트리엘 (KR) 2019-11-14 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 (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-20230139809-A1 BENZIMIDAZOLE DERIVATIVES ECI1, COX4I1, BRD4 PDK2 275/4885HTR2A 3025/4885MLNR 2619/4885

“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.