SCHEMBL12765770

SCHEMBL12765770

COSC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.57
▸ GAA P10253 1/20 0.57
▸ HPGD P15428 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ BLM P54132 1/20 0.53

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
SCHEMBL12765765 0.85 ALDH1A1 (0.62) MAPTMEN1KMT2ACYP1A2CYP2C19
Methyl 3-(3-Indolylmethyl)Propanoate SCHEMBL290808 0.81 MAPT (0.71) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1519979 0.81 ALDH1A1 (0.65) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1250315 0.79 MAPT (0.66) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL29611317 0.79 MAPT (0.66) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL664283 0.79 MAPT (0.70) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1358575 0.79 CYP1A2 (0.76) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL22076496 0.78 MAPT (0.67) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL4092371 0.78 ALDH1A1 (0.75) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL29053759 0.78 MAPT (0.68) MAPTMEN1KMT2ACYP1A2CYP2C19

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-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 — — US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 — — US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 — — 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 (2 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT MAPT 2968/4885MEN1 2052/4885KMT2A 597/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT MAPT 3083/4885MEN1 2267/4885KMT2A 660/4885

“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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