SCHEMBL2129436

SCHEMBL2129436

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.43
▸ NR1H4 Q96RI1 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 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
▸ MAPT P10636 1/20 0.38
▸ CRHBP P24387 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
SCHEMBL2131027 0.88 CSF1R (0.46) CSF1RNR1H4ALDH1A1LOXL2RAB9A
SCHEMBL2131238 0.86 CSF1R (0.43) CSF1RNR1H4ALDH1A1KMT2ALOXL2
SCHEMBL2129386 0.82 LMNA (0.44) NR1H4ALDH1A1KMT2AGAAMAPK1
SCHEMBL2128455 0.74 CSF1R (0.48) CSF1RNR1H4ALDH1A1LOXL2RAB9A
SCHEMBL2128489 0.71 MAPT (0.48) CSF1RNR1H4ALDH1A1KMT2ALOXL2
SCHEMBL8349147 0.71 LOXL2 (0.46) ALDH1A1LOXL2RAB9AGAAKDM4E
SCHEMBL15630537 0.70 TRPM8 (0.51) NR1H4KMT2AMEN1POLB
SCHEMBL5067508 0.69 LOXL2 (0.61) ALDH1A1KMT2ALOXL2RAB9AGAA
SCHEMBL1474021 0.68 ALDH1A1 (0.65) ALDH1A1KMT2ALOXL2RAB9AKDM4E
SCHEMBL8781971 0.68 LOXL2 (0.59) ALDH1A1KMT2ALOXL2RAB9AGAA

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 1020/4885NR1H4 1/4885ALDH1A1 3095/4885

“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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