SCHEMBL5923316

SCHEMBL5923316

CCCCCc1ccc(NC(=N)Nc2nc(C)cc(OC)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ SPHK1 Q9NYA1 6/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 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
SCHEMBL5923041 0.93 SPHK1 (0.44) MAPK1HTTSPHK1SMN1; SMN2ALDH1A1
SCHEMBL5923584 0.90 RAB9A (0.54) MAPK1RAB9ASPHK1MEN1KMT2A
SCHEMBL5923088 0.86 MAPT (0.48) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL5923652 0.84 HTT (0.48) MAPK1RAB9AHTTSMN1; SMN2TSHR
SCHEMBL5923317 0.83 MEN1 (0.41) MAPK1RAB9AHTTSMN1; SMN2TSHR
SCHEMBL5923549 0.79 SPHK1 (0.47) MAPK1RAB9ASPHK1ALDH1A1MEN1
SCHEMBL5923018 0.79 ALDH1A1 (0.45) RAB9AHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL5923100 0.78 GAA (0.44) GAAMAPTL3MBTL1
SCHEMBL5923240 0.78 SMN1; SMN2 (0.50) RAB9AHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL5923410 0.77 MAPK1 (0.48) MAPK1RAB9AHTTSPHK1MEN1

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 MAPK1 2055/4885RAB9A 410/4885HTT 1227/4885

“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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