SCHEMBL17769204

SCHEMBL17769204

COC(=O)c1cc(OCc2ccccc2)c2cc(-c3ccc(CNC(=O)OCc4ccccc4)cc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.53
▸ TNKS2 Q9H2K2 2/20 0.53
▸ HDAC1 Q13547 4/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ PLAU P00749 1/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CDK2 P24941 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ AURKA O14965 2/20 0.41
▸ FLT1 P17948 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ GAA P10253 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
SCHEMBL31389256 0.83 ALOX15 (0.50) —
SCHEMBL17769203 0.82 CDK2 (0.41) CDK2LMNA
SCHEMBL31389266 0.80 ALOX15 (0.55) LMNA
SCHEMBL17769171 0.78 LMNA (0.50) LMNA
SCHEMBL31389233 0.77 SMN1; SMN2 (0.56) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL31389265 0.75 MAPT (0.50) LMNA
SCHEMBL31389236 0.75 MAPT (0.58) LMNAGAA
SCHEMBL31389289 0.75 MAPT (0.58) LMNA
SCHEMBL31389296 0.75 ALOX15 (0.52) MMP13LMNAGAACYP3A4
SCHEMBL31389282 0.75 MEN1 (0.59) HDAC1HDAC2HDAC3RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221353-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF Nestec S.A. (CH) 2017-09-27 — — EP disclosed
US-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2017-08-24 — — US disclosed
US-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2017-08-24 — — US disclosed
WO-2016079708-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2016-05-26 — — WO disclosed
WO-2016079708-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2016-05-26 — — 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-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF TPH1, HTR5A, KYNU TNKS 1840/4885TNKS2 2382/4885HDAC1 2781/4885

“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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