SCHEMBL12678010

SCHEMBL12678010

CCN(C)C(=O)c1cncc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.55
▸ ATM Q13315 1/20 0.50
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KMT2A Q03164 2/20 0.40
▸ SMYD3 Q9H7B4 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ SPR P35270 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PTGS1 P23219 1/20 0.35

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
SCHEMBL12677900 0.84 HPGD (0.57) HCAR2ATMHPGDTDP1KMT2A
SCHEMBL17297343 0.83 HCAR2 (0.51) HCAR2ATMKMT2ASMYD3CYP2C9
SCHEMBL2570620 0.83 KMT2A (0.55) HCAR2KMT2ACYP2C19KDM4EHTT
SCHEMBL17297327 0.82 HCAR2 (0.50) HCAR2ATMKMT2ASMYD3CYP2C9
SCHEMBL12048998 0.82 HCAR2 (0.62) HCAR2ATMHPGDKMT2ASMYD3
SCHEMBL24576770 0.80 HCAR2 (0.60) HCAR2ATMKMT2ASMYD3CYP2C9
SCHEMBL10282081 0.79 HCAR2 (0.58) HCAR2ATMKMT2ASMYD3CYP2C9
SCHEMBL31660043 0.79 MMP13 (0.60) HCAR2ATMKMT2AMEN1NAMPT
SCHEMBL11723606 0.76 GAA (0.41) ATMHPGDKMT2ACYP2C9CYP2C19
SCHEMBL4056048 0.76 ATM (0.59) HCAR2ATMKMT2ASMYD3CYP2C9

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-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
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 — — US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — 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 (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 HCAR2 273/4885ATM 3065/4885HPGD 2101/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 HCAR2 273/4885ATM 3065/4885HPGD 2101/4885

“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.

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