SCHEMBL2371020

SCHEMBL2371020

COc1ccc2oc3cc(F)c(Br)cc3c(=O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
KDM4E B2RXH2 6/20 0.69
HPGD P15428 6/20 0.69
NPC1 O15118 5/20 0.69
RAB9A P51151 4/20 0.69
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CASP3 P42574 1/20 0.69
SENP8 Q96LD8 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
SENP6 Q9GZR1 1/20 0.69
MAOA P21397 2/20 0.61
RAD52 P43351 1/20 0.51
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 3/20 0.48
ABCB1 P08183 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 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
SCHEMBL2384098 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL29619913 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL2370815 0.83 NPC1 (0.45) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL2161251 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL570670 0.81 KDM4E (0.81) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL2371396 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL7331388 0.81 KDM4E (0.86) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL21327477 0.80 NPC1 (0.73) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL8515446 0.78 KDM4E (0.75) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL20317333 0.77 NPC1 (0.64) ALDH1A1KDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 572/4885KDM4E 2994/4885HPGD 2431/4885

“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.