SCHEMBL4291027

SCHEMBL4291027

[CH2]Cc1ccccc1NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
MGLL Q99685 1/20 0.50
MAOB P27338 1/20 0.50
PLAU P00749 1/20 0.49
PTPN1 P18031 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.48
ENPP2 Q13822 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47

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
SCHEMBL9588889 0.86 NPC1 (0.70) NPC1RAB9APOLBCASP3MGLL
SCHEMBL15516309 0.86 NPC1 (0.66) NPC1RAB9APOLBCASP3MGLL
SCHEMBL1163050 0.85 NPC1 (0.64) NPC1RAB9APOLBCASP3MGLL
SCHEMBL6443587 0.85 NPC1 (0.58) NPC1RAB9APOLBMGLLMAOB
SCHEMBL2559038 0.82 NPC1 (0.61) NPC1RAB9APOLBCASP3MGLL
SCHEMBL8705480 0.82 NPC1 (0.61) NPC1RAB9APOLBCASP3MGLL
SCHEMBL3083502 0.82 NPC1 (0.60) NPC1RAB9APOLBCASP3MGLL
SCHEMBL6978900 0.82 NPC1 (0.57) NPC1RAB9APOLBCASP3MGLL
SCHEMBL3928121 0.81 NPC1 (0.68) NPC1RAB9APOLBCASP3MGLL
SCHEMBL6923337 0.81 NPC1 (0.59) NPC1RAB9APOLBCASP3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 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-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS NPC1 335/4885RAB9A 1576/4885POLB 644/4885

“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.