SCHEMBL13640280

SCHEMBL13640280

CCCn1c(C)cc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
PRMT5 O14744 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 3/20 0.40
DRD2 P14416 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
PLK1 P53350 1/20 0.39
TSHR P16473 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL20853226 0.90 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL19506933 0.86 PRMT5 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL18509284 0.85 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL20853332 0.78 PTGS2 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL26433445 0.77 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL21032897 0.77 PRMT5 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL12580665 0.77 PRMT5 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL6325712 0.77 TP53 (0.59) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL31021975 0.77 TP53 (0.59) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL12466547 0.76 ALDH1A1 (0.66) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828359-B2 Process for the preparation of 3-substituted (indol-1-yl)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2017-11-28 US disclosed
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ZACH SYSTEM SPA (IT) 2017-10-26 US disclosed
US-9102658-B2 Process for the preparation of (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-y1)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2015-08-11 US disclosed
US-8980918-B2 Amorphous (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-acetic acid ATOPIX THERAPEUTICS LIMITED (GB) 2015-03-17 US disclosed
US-20140350264-A1 Process for the Preparation of (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid Esters OXAGEN LIMITED (GB) 2014-11-27 US disclosed
US-20140255340-A1 Amorphous (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid ATOPIX THERAPEUTICS LIMITED (GB) 2014-09-11 US disclosed
US-8703956-B2 Amorphous (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-acetic acid ATOPIX THERAPEUTICS LIMITED (GB) 2014-04-22 US disclosed
US-20120282223-A1 Amorphous (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid ATOPIX THERAPEUTICS LIMITED (GB) 2012-11-08 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 (4 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-20140255340-A1 Amorphous (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid HRH2, PTGDR2, PTGDR ALDH1A1 1129/4885KDM4E 4491/4885SMN1; SMN2 4480/4885
US-20120282223-A1 Amorphous (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid HRH2, PTGDR2, PTGDR ALDH1A1 1129/4885KDM4E 4491/4885SMN1; SMN2 4480/4885
US-20140350264-A1 Process for the Preparation of (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid Esters ADH1C, ALDH7A1, AKR1C1 ALDH1A1 15/4885KDM4E 595/4885SMN1; SMN2 2466/4885
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS IDO1, IDO2, SI ALDH1A1 55/4885KDM4E 1013/4885SMN1; SMN2 3979/4885

“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.