SCHEMBL18861602

SCHEMBL18861602

CN1CCN(c2cccc(CC(=O)Nc3ccc([C@H]4CCC[C@H](c5ccc(NC(=O)Cc6cccc(N7CCN(C)CC7)c6)nn5)C4)nn3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 9/20 0.50
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ SIGMAR1 Q99720 4/20 0.41
▸ TMEM97 Q5BJF2 2/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ DYRK1A Q13627 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
SCHEMBL18861470 0.92 GLS (0.51) GLSNPC1RAB9AKDM4EMEN1
SCHEMBL18861575 0.92 GLS (0.51) GLSNPC1RAB9AKDM4EMEN1
SCHEMBL18861580 0.89 GLS (0.47) GLSKDM4EMEN1USP2ALDH1A1
SCHEMBL18861584 0.89 GLS (0.47) GLSKDM4EMEN1USP2ALDH1A1
SCHEMBL18861604 0.85 GLS (0.47) GLSKDM4EMEN1USP2ALDH1A1
SCHEMBL18861441 0.82 GLS (0.55) GLS
SCHEMBL18861419 0.82 GLS (0.58) GLSNPC1ALDH1A1MAPTKCNQ2
SCHEMBL20828348 0.81 GLS (0.66) GLSMAPT
SCHEMBL15725187 0.81 GLS (0.66) GLSMAPT
SCHEMBL18861588 0.81 GLS (0.56) GLS

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-10000479-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-06-19 — — US disclosed
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2017-05-18 — — 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-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885NPC1 2709/4885RAB9A 1896/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885NPC1 2709/4885RAB9A 1896/4885

“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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