SCHEMBL2131238

SCHEMBL2131238

COC(=O)c1ccc(CN(C)c2ncc(N)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 2/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ NR1H4 Q96RI1 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL2128455 0.88 CSF1R (0.48) CSF1RLOXL2NR1H4RAB9AKDM4E
SCHEMBL2129436 0.86 CSF1R (0.43) CSF1RLOXL2NR1H4RAB9AKDM4E
SCHEMBL2129386 0.82 LMNA (0.44) NR1H4SMN1; SMN2GAAKMT2AMAPT
SCHEMBL2131027 0.74 CSF1R (0.46) CSF1RLOXL2NR1H4RAB9AKDM4E
SCHEMBL16420939 0.73 KDM4E (0.54) LOXL2TP53RAB9AKDM4ESMN1; SMN2
SCHEMBL2128489 0.71 MAPT (0.48) CSF1RLOXL2NR1H4RAB9AKDM4E
SCHEMBL8349147 0.71 LOXL2 (0.46) LOXL2TP53RAB9AKDM4ESMN1; SMN2
SCHEMBL5067508 0.69 LOXL2 (0.61) LOXL2RAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL17512626 0.68 NQO2 (0.44) KDM4ESMN1; SMN2GAAMAPTMAPK1
SCHEMBL1474021 0.68 ALDH1A1 (0.65) LOXL2RAB9AKDM4ESMN1; SMN2NPC1

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-2084147-B1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-04-25 — — EP disclosed
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 — — US disclosed
CN-101511813-A Heterocyclic FXR binding compounds PHENEX PHARMACEUTICALS AG (DE) 2009-08-19 — — CN disclosed
EP-2084147-A1 HETEROCYCLIC FXR BINDING COMPOUNDS Phenex Pharmaceuticals AG (DE) 2009-08-05 — — EP disclosed
WO-2008025540-A1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2008-03-06 — — 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-20100184809-A1 Heterocyclic FXR Binding Compounds NR1H4, NR1H2, NR1H3 CSF1R 1020/4885LOXL2 4196/4885NR1H4 1/4885

“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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