SCHEMBL4868404

SCHEMBL4868404

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc3nc(-c4ccc(-n5ccnc5)cc4)ccc3c1)n2CC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.37
MAOB P27338 8/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
DHODH Q02127 1/20 0.36
CD38 P28907 1/20 0.33
MTOR P42345 2/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
ROCK2 O75116 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4868302 0.88 MAOA (0.37) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL4868414 0.88 MAOA (0.45) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL5934946 0.87 DHODH (0.38) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL14304717 0.84 KCNH2 (0.36) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL4877518 0.84 NPC1 (0.35) NPC1RAB9ABRD4CREBBPALDH1A1
SCHEMBL3931408 0.83 KCNH2 (0.37) BRD4CREBBPGAA
SCHEMBL3931763 0.83 GRIN2B (0.39) MTORBRD4CREBBPALDH1A1GAA
SCHEMBL4868456 0.82 ALDH1A1 (0.39) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4875180 0.82 KCNH2 (0.38) BRD4CREBBPGAA
SCHEMBL4876035 0.82 GRIN2B (0.39) MTORBRD4CREBBP

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 MAOA 1045/4885MAOB 1059/4885NPC1 679/4885

“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.