SCHEMBL5923119

SCHEMBL5923119

COc1cc(C)nc(NC(=N)NCCc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ EPHX2 P34913 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ PLAAT3 P53816 2/20 0.41
▸ PLAAT5 Q96KN8 2/20 0.41
▸ PLAAT2 Q9NWW9 2/20 0.41
▸ PLAAT4 Q9UL19 2/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL5923374 0.94 EPHX2 (0.45) MAPTEPHX2LMNAALDH1A1GLA
SCHEMBL5923376 0.91 EPHX2 (0.49) CYP1A2MAPTCYP2C9CYP2C19EPHX2
SCHEMBL5923234 0.82 SMN1; SMN2 (0.48) HTTCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5923299 0.82 EPHX2 (0.46) EPHX2LMNAALDH1A1PLAAT3PLAAT5
SCHEMBL2801059 0.81 ALDH1A1 (0.48) SMN1; SMN2LMNAALDH1A1ALOX12
SCHEMBL5923332 0.80 EPHX2 (0.49) CYP1A2MAPTEPHX2SMN1; SMN2LMNA
SCHEMBL5923285 0.79 EPHX2 (0.46) MAPTEPHX2SMN1; SMN2LMNAALDH1A1
SCHEMBL5923663 0.78 HTT (0.58) HTTCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5923153 0.78 HTT (0.46) HTTCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5923485 0.77 KDM4E (0.58) MAPTEPHX2SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 HTT 1227/4885CYP1A2 295/4885MAPT 2982/4885

“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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