SCHEMBL12677900

SCHEMBL12677900

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ HCAR2 Q8TDS4 1/20 0.56
▸ ATM Q13315 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ HSP90AA1 P07900 5/20 0.44
▸ HSP90AB1 P08238 5/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ MLYCD O95822 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL12678010 0.84 HCAR2 (0.55) HPGDTDP1HCAR2ATMMEN1
SCHEMBL5419503 0.82 HPGD (0.47) HPGDTDP1HCAR2LMNAMEN1
SCHEMBL4821799 0.82 POLB (0.56) HPGDTDP1HCAR2KMT2ASMN1; SMN2
SCHEMBL12048998 0.79 HCAR2 (0.62) HPGDHCAR2ATMMEN1KMT2A
SCHEMBL3741746 0.79 HPGD (0.67) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL24576770 0.78 HCAR2 (0.60) HCAR2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL27690353 0.77 HPGD (0.47) HPGDTDP1HCAR2LMNAMEN1
SCHEMBL5430302 0.77 HPGD (0.49) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL5425591 0.77 HPGD (0.48) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL10282081 0.76 HCAR2 (0.58) HCAR2ATMMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365502-A1 METHOD FOR PREPARING PYRIDINE COMPOUND SUBSTITUTED WITH TRIFLUOROMETHYLTHIO, DIFLUOROMETHYLTHIO OR TRIFLUOROMETHYL IN META POSITION NANKAI UNIVERSITY (CN) 2023-11-16 — — US disclosed
WO-2021076572-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 — — WO disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 — — US disclosed
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 (3 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 HPGD 2101/4885TDP1 4710/4885HCAR2 273/4885
US-20230365502-A1 METHOD FOR PREPARING PYRIDINE COMPOUND SUBSTITUTED WITH TRIFLUOROMETHYLTHIO, DIFLUOROMETHYLTHIO OR TRIFLUOROMETHYL IN META POSITION TDO2, DPM1, FBXL19 HPGD 1564/4885TDP1 2725/4885HCAR2 4607/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 HPGD 2101/4885TDP1 4710/4885HCAR2 273/4885

“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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