SCHEMBL358101

SCHEMBL358101

O=C(Cc1ccc2[nH]nnc2c1)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ATM Q13315 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
AKR1C3 P42330 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.44
GPR183 P32249 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44

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
SCHEMBL355872 0.86 ENPP2 (0.46) ATMKMT2AMEN1ALDH1A1GFER
SCHEMBL118044 0.78 FNTA (0.44) ATMKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL10102951 0.78 ENPP2 (0.46) ATMKMT2AMEN1ALDH1A1GFER
SCHEMBL14889443 0.77 ALDH1A1 (0.48) ALDH1A1KDM4E
SCHEMBL118559 0.76 NPSR1 (0.42) POLBALDH1A1SMN1; SMN2FAAHKDM4E
SCHEMBL13149275 0.75 ALDH1A1 (0.77) POLBATMKMT2AMEN1LMNA
SCHEMBL16598897 0.74 ALDH1A1 (0.80) POLBATMKMT2AMEN1LMNA
SCHEMBL27251857 0.73 ATM (0.83) POLBATMKMT2AMEN1LMNA
SCHEMBL118987 0.73 CNR1 (0.45) KMT2AMEN1ALDH1A1KDM4EME2
SCHEMBL10502128 0.73 POLB (0.70) POLBKMT2ALMNAALDH1A1SMN1; SMN2

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-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 US claimed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 US claimed

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-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, MTX1 POLB 4069/4885ATM 4406/4885KMT2A 1968/4885

“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.