SCHEMBL3218680

SCHEMBL3218680

CCC(CC)c1ccc(OC)c2nc(Oc3c(Cl)cc(N(C)C)cc3CN3CCCC3)n(C)c12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.48
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL3199517 0.90 CRHR1 (0.58) CRHR1MEN1KMT2AALDH1A1TSHR
SCHEMBL3205326 0.88 CRHR1 (0.57) CRHR1
SCHEMBL3199522 0.82 CRHR1 (0.51) CRHR1ALDH1A1KDM4E
SCHEMBL3208861 0.81 CRHR1 (0.69) CRHR1ALDH1A1TSHRKDM4ETDP1
SCHEMBL3858728 0.80 CRHR1 (0.48) CRHR1MEN1KMT2AALDH1A1TSHR
SCHEMBL3199553 0.79 CRHR1 (0.60) CRHR1
SCHEMBL2056026 0.79 CRHR1 (0.70) CRHR1
SCHEMBL3199484 0.79 CRHR1 (0.62) CRHR1TDP1
SCHEMBL3207712 0.78 CRHR1 (0.53) CRHR1CD274
SCHEMBL2056040 0.76 CRHR1 (0.73) CRHR1MEN1KMT2AALDH1A1TSHR

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
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US claimed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 CRHR1 4/4885MEN1 1490/4885KMT2A 2341/4885

“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.