SCHEMBL4581034

SCHEMBL4581034

CCCCOc1cc(/C(N)=N/O)ccc1-n1ccc2cc(OC)c(OC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
GAA P10253 3/20 0.45
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RECQL P46063 1/20 0.40
SMPD1 P17405 4/20 0.39
PRSS1 P07477 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4B Q07343 2/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 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
SCHEMBL4581042 1.00 RAB9A (0.45) RAB9AGAANPC1LMNAMAPT
SCHEMBL14291378 0.92 RAB9A (0.42) RAB9AGAANPC1LMNAMAPT
SCHEMBL4581705 0.88 MAPK1 (0.48) RAB9ANPC1HSD17B10SMPD1PRSS1
SCHEMBL4581039 0.82 SMPD1 (0.41) RAB9ANPC1LMNAMAPTSMPD1
SCHEMBL14291381 0.82 MAPT (0.42) GAALMNAMAPTTP53MEN1
SCHEMBL4581465 0.77 ICMT (0.41)
SCHEMBL4221613 0.69 RECQL (0.77) RAB9AGAANPC1LMNAMAPT
SCHEMBL30506314 0.69 RECQL (0.77) RAB9AGAANPC1LMNAMAPT
SCHEMBL1660322 0.69 RECQL (0.77) RAB9AGAANPC1LMNAMAPT
SCHEMBL20116265 0.68 MAPK1 (0.68) GAAMAPTRECQLPRSS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 RAB9A 3769/4885GAA 4328/4885NPC1 4035/4885

“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.