SCHEMBL2131027

SCHEMBL2131027

COC(=O)c1cccc(CN(C)c2ncc(I)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 2/20 0.46
▸ NR1H4 Q96RI1 2/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ MRGPRX4 Q96LA9 5/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ YTHDC1 Q96MU7 1/20 0.39
▸ CETP P11597 1/20 0.39

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
SCHEMBL2129436 0.88 CSF1R (0.43) CSF1RNR1H4LOXL2RAB9ASMN1; SMN2
SCHEMBL2128455 0.87 CSF1R (0.48) CSF1RNR1H4LOXL2CYP4F2CYP4A11
SCHEMBL2128489 0.83 MAPT (0.48) CSF1RNR1H4LOXL2CYP4F2CYP4A11
SCHEMBL4490305 0.76 LOXL2 (0.52) CSF1RLOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL2131238 0.74 CSF1R (0.43) CSF1RNR1H4LOXL2RAB9ASMN1; SMN2
SCHEMBL165622 0.73 LOXL2 (0.66) LOXL2CYP4F2CYP4A11MRGPRX4RAB9A
SCHEMBL2129386 0.71 LMNA (0.44) NR1H4SMN1; SMN2ALDH1A1MAPT
SCHEMBL4835879 0.69 LOXL2 (0.60) LOXL2CYP4F2CYP4A11MRGPRX4RAB9A
SCHEMBL10106423 0.69 LOXL2 (0.64) LOXL2CYP4F2CYP4A11MRGPRX4RAB9A
SCHEMBL18362154 0.68 LOXL2 (0.70) CSF1RLOXL2CYP4F2CYP4A11MRGPRX4

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 1/4885LOXL2 4196/4885

“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.

Send feedback