SCHEMBL5922996

SCHEMBL5922996

Cc1cc(C)nc(NC(=N)Nc2cccc(Oc3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ PPARG P37231 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ NR2E3 Q9Y5X4 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.57
▸ RAB9A P51151 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ GBA1 P04062 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PLAU P00749 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL5923207 0.90 SMN1; SMN2 (0.52) MAPTNPSR1PPARGRXFP1NR2E3
SCHEMBL5923312 0.88 MEN1 (0.58) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL5923357 0.85 MAPK1 (0.57) MAPTNPSR1PPARGRXFP1NR2E3
SCHEMBL5923418 0.84 SMN1; SMN2 (0.53) MAPTNPSR1PPARGRXFP1NR2E3
SCHEMBL5923055 0.84 RAB9A (0.49) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL5923264 0.83 CYP1A2 (0.52) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL5922956 0.82 MAPT (0.53) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL5923236 0.81 SMN1; SMN2 (0.50) MAPTNPSR1PPARGRXFP1NR2E3
SCHEMBL5923085 0.79 CYP1A2 (0.55) MAPTNPSR1PPARGRXFP1NR2E3
SCHEMBL5923420 0.78 SMN1; SMN2 (0.52) MAPTNPSR1PPARGRXFP1NR2E3

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 3 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
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 — — WO 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 MAPT 2982/4885NPSR1 3577/4885PPARG 934/4885

“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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