SCHEMBL14006362

SCHEMBL14006362

CC(C)(C)c1nc(CN2CCCCC2)no1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ SIGMAR1 Q99720 5/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TMEM97 Q5BJF2 4/20 0.38
▸ BMP1 P13497 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 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
SCHEMBL11915980 0.84 CXCR4 (0.37) SIGMAR1ALDH1A1TDP1CYP1A2LMNA
SCHEMBL12626 0.77 NPC1 (0.44) SIGMAR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL14034348 0.73 BMP1 (0.45) SIGMAR1NPC1RAB9ASMN1; SMN2TMEM97
SCHEMBL91618 0.70 AOC3 (0.32) CNR2
SCHEMBL20365263 0.70 AOC3 (0.38) CNR2CYP1A2CYP2D6
SCHEMBL12933353 0.70 RAB9A (0.51) TSHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9179826 0.69 ALDH1A1 (0.53) TSHRKDM4EALDH1A1TDP1LMNA
SCHEMBL7319086 0.69 TP53 (0.42) NPC1RAB9ASMN1; SMN2BMP1ALDH1A1
SCHEMBL478959 0.69 CNR2 (0.33) TSHRCNR2KDM4EALDH1A1LMNA
SCHEMBL2869276 0.69 AOC3 (0.31) TSHRCNR2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 — — 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 (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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX TSHR 3493/4885SIGMAR1 774/4885CNR2 324/4885

“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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