SCHEMBL2572011

SCHEMBL2572011

CCOc1ccc(CC(=N)N)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
NQO1 P15559 1/20 0.54
PARP10 Q53GL7 1/20 0.52
ADRA2A P08913 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.47
WDR5 P61964 1/20 0.47
MAPK8 P45983 1/20 0.47
F2 P00734 1/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
LTA4H P09960 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL14599600 0.84 PRSS1 (0.48) PRSS1PRSS2PRSS3WDR5F2
SCHEMBL14599522 0.81 PRMT1 (0.61) PRSS1ADRA2AF2ST14
SCHEMBL14599578 0.81 PRMT1 (0.61) PRSS1ADRA2AF2ST14
SCHEMBL700166 0.81 PARP10 (0.61) NQO1PARP10TSHRTDP1ALDH1A1
SCHEMBL5729248 0.80 IDO1 (0.61) PRSS1PRSS2PRSS3TSHRALDH1A1
Hydrochloric Acid SCHEMBL1021455 0.78 IDO1 (0.62) PRSS1PRSS2PRSS3TSHRALDH1A1
SCHEMBL15149741 0.78 PRSS1 (0.52) PRSS1PRSS2PRSS3ADRA2AF2
SCHEMBL6650453 0.78 NQO1 (0.61) PRSS1PRSS2PRSS3NQO1PARP10
SCHEMBL20008634 0.77 IDO1 (0.57) PRSS1PRSS2PRSS3ALDH1A1F2
SCHEMBL6709316 0.77 NQO1 (0.54) NQO1PARP10TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
CN-101511796-B Imidazole derivatives KYOWA HAKKO KOGYO KK 2012-05-09 CN disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP disclosed
CN-101511796-A Imidazole derivative KYOWA HAKKO KOGYO KK (JP) 2009-08-19 CN 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 PRSS1 3856/4885PRSS2 4037/4885PRSS3 4331/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 PRSS1 3856/4885PRSS2 4037/4885PRSS3 4331/4885

“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.