SCHEMBL4496196

SCHEMBL4496196

CCCc1ccc(Oc2ncncc2C(N)=O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4493575 0.81 KMT2A (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4493574 0.78 MAPT (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4501636 0.74 MKNK1 (0.46) KMT2AMEN1MAPK1LMNAL3MBTL1
SCHEMBL5686482 0.73 ALDH1A1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30509874 0.72 NNMT (0.45) ALDH1A1POLBKDM4E
SCHEMBL31582882 0.72 NNMT (0.45) ALDH1A1POLBKDM4E
SCHEMBL427541 0.72 ATM (0.68) SMN1; SMN2ALDH1A1POLBKDM4EATM
Ammonia Solution, Strong SCHEMBL10556485 0.71 ATM (0.66) SMN1; SMN2ALDH1A1POLBKDM4EATM
SCHEMBL30422501 0.70 MKNK1 (0.42) NPC1KMT2AMEN1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL8621698 0.69 ATM (0.63) SMN1; SMN2ALDH1A1POLBKDM4EATM

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-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 — — US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 — — 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 NPC1 4710/4885RAB9A 4716/4885KMT2A 2883/4885

“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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