SCHEMBL6719601

SCHEMBL6719601

N=C(Nc1ccc2oc(=O)ccc2c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.45
CA9 Q16790 4/20 0.44
SNCA P37840 1/20 0.44
F12 P00748 1/20 0.43
CA12 O43570 2/20 0.43
ACHE P22303 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6727724 0.74 EPHX2 (0.41) ALDH1A1HPGDMEN1KMT2ACA9
SCHEMBL6719606 0.74 LMNA (0.46) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL9317607 0.73 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL15009312 0.71 CA12 (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8996650 0.70 EPHX2 (0.68) RAB9AMEN1KMT2AEPHX2
SCHEMBL11698867 0.70 EPHX2 (0.68) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL6952695 0.70 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL6724207 0.70 EPHX2 (0.67) EPHX2
SCHEMBL3919575 0.69 EPHX2 (0.56) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL6081510 0.69 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US claimed
US-6673557-B2 ADMINISTERING SUBSTITUED GUANIDINE COMPOUNDS FOR THERAPY OF DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2004-01-06 US disclosed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US disclosed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US disclosed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
US-5574070-A Substituted guanidines having high binding to the sigma receptor and the use thereof STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-11-12 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-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 ALDH1A1 869/4885KDM4E 4800/4885SMN1; SMN2 1156/4885

“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.