SCHEMBL4581557

SCHEMBL4581557

COCCOc1cc(Nc2ccc(OC)c(OC)c2)ccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.50
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
FAAH O00519 1/20 0.46
MELK Q14680 1/20 0.45
CSF1R P07333 3/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP15 Q460N3 1/20 0.43

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
SCHEMBL17779271 0.76 KMT2A (0.52) SYKMAPK8MAPK9KMT2AMEN1
SCHEMBL6154777 0.76 MAPK9 (0.59) SYKMAPK8MAPK9KMT2AMEN1
SCHEMBL4580429 0.75 SRC (0.51) ALDH1A1
SCHEMBL6941556 0.75 MAPK1 (0.72) TP53HSD17B10
SCHEMBL6155111 0.74 MKNK1 (0.51) SYKMAPK8MAPK9KMT2AMEN1
SCHEMBL873953 0.73 KDM4E (0.53) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL23835432 0.72 LMNA (0.67) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7448597 0.71 CHEK1 (0.50) SYKALDH1A1MAPTPARP15PARP10
SCHEMBL28450293 0.71 EGFR (0.58) FAAH
SCHEMBL28455574 0.71 EGFR (0.58) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 SYK 462/4885MAPK8 2784/4885MAPK9 3008/4885

“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.