SCHEMBL1694385

SCHEMBL1694385

O=C(OCc1ccccc1)N1CC[C@@H](O)C[C@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2C19 P33261 1/20 0.48
F2 P00734 2/20 0.45
ELANE P08246 2/20 0.45
CTSG P08311 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PREP P48147 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL1694386 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19F2
SCHEMBL1694387 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19F2
SCHEMBL4186350 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19F2
SCHEMBL4186357 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19F2
SCHEMBL6252758 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19F2
SCHEMBL12164616 0.87 POLB (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14012812 0.87 POLB (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL8660402 0.87 POLB (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL8697857 0.87 POLB (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3578965 0.87 POLB (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA SMN1; SMN2 3467/4885NPC1 2224/4885RAB9A 3774/4885

“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.