SCHEMBL896310

SCHEMBL896310

O=C(Nc1cccnc1Cl)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 2/20 0.57
RAB9A P51151 7/20 0.56
NPC1 O15118 5/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL1735617 0.82 TRPV1 (0.51) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL896116 0.82 NPC1 (0.54) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL17868651 0.81 KMT2A (0.48) SMN1; SMN2HTTRAB9ANPC1ALDH1A1
SCHEMBL13806448 0.80 IDO1 (0.47) SMN1; SMN2HTTALDH1A1KMT2AMEN1
SCHEMBL8699110 0.79 ALDH1A1 (0.50) SMN1; SMN2HTTRAB9ANPC1ALDH1A1
SCHEMBL2398063 0.79 KDR (0.63) SMN1; SMN2HTTRAB9ANPC1ALDH1A1
SCHEMBL3984621 0.79 MEN1 (0.82) HTTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL1721544 0.79 SMN1; SMN2 (0.65) SMN1; SMN2HTTRAB9ANPC1ALDH1A1
SCHEMBL28147399 0.78 NPC1 (0.47) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL3144214 0.78 MEN1 (0.61) SMN1; SMN2HTTRAB9AALDH1A1KMT2A

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
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH SMN1; SMN2 1073/4885HTT 303/4885RAB9A 1530/4885

“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.