SCHEMBL730687

SCHEMBL730687

Fc1ccc(-c2c[c]cc(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 6/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A3 P47895 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
AR P10275 1/20 0.40
ATM Q13315 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
NPSR1 Q6W5P4 4/20 0.40
NPY5R Q15761 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4348467 0.80 RAB9A (0.59) RAB9AALDH1A1ALOX5KDM4EMAPT
SCHEMBL730958 0.80 RAB9A (0.33) RAB9AALDH1A1ALOX5KDM4EMAPT
SCHEMBL6344776 0.78 RAB9A (0.56) RAB9AALDH1A1ALOX5KDM4EMAPT
SCHEMBL732423 0.77 MEN1 (0.62) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL4591123 0.74 RAB9A (0.40) RAB9AALDH1A1ALOX5KDM4EMAPT
SCHEMBL4001714 0.73 KDM4E (0.53) RAB9AALDH1A1ALOX5KDM4EMAPT
SCHEMBL5780643 0.73 CYP19A1 (0.47) RAB9AALDH1A1KDM4ENPC1ALDH1A3
SCHEMBL28013148 0.71 KDM4E (0.47) RAB9AALDH1A1ALOX5KDM4ENPC1
SCHEMBL4355827 0.71 MAPT (0.65) RAB9AALDH1A1KDM4EMAPTALDH1A3
SCHEMBL31291015 0.71 MAPT (0.65) RAB9AALDH1A1KDM4EMAPTALDH1A3

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 RAB9A 2465/4885ALDH1A1 113/4885ALOX5 2846/4885

“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.