SCHEMBL10180293

SCHEMBL10180293

Fc1ccccc1-n1nnc(-c2nc(-c3ccccn3)no2)c1C1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
TP53 P04637 12/20 0.40
RAB9A P51151 10/20 0.40
SMN1; SMN2 Q16637 10/20 0.40
NPC1 O15118 9/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 10/20 0.39
HSD17B10 Q99714 4/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
KLF5 Q13887 2/20 0.38
HPGD P15428 1/20 0.38
ESR2 Q92731 1/20 0.37
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10179481 0.87 MAPT (0.45) TP53RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3751207 0.87 TP53 (0.52) TP53RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL3754505 0.86 NPC1 (0.45) TP53RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL10179311 0.84 CHRNB2 (0.42) TP53RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3758661 0.83 TP53 (0.55) TP53SMN1; SMN2MAPTLMNA
SCHEMBL20405914 0.77 TP53 (0.33) TP53MAPT
SCHEMBL3763939 0.76 TP53 (0.55) GRM5TP53RAB9ASMN1; SMN2NPC1
SCHEMBL10181574 0.73 TP53 (0.47) GRM5TP53RAB9ASMN1; SMN2NPC1
SCHEMBL3762743 0.73 TP53 (0.55) GRM5TP53RAB9ASMN1; SMN2NPC1
SCHEMBL3755998 0.73 TP53 (0.55) TP53RAB9ASMN1; SMN2NPC1MAPK1

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-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 GRM5 1824/4885TP53 2220/4885RAB9A 2114/4885

“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.