SCHEMBL23489368

SCHEMBL23489368

N#CCCN1CCc2cccc(C(=O)OCc3ccccc3)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PTGER4 P35408 5/20 0.43
PTGER2 P43116 3/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.40
NOTUM Q6P988 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
STAT3 P40763 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL23489367 0.84 ALDH1A1 (0.45) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL19149405 0.78 HTT (0.43) TDP1L3MBTL1PTGER4PTGER2MAPK1
SCHEMBL23489369 0.72 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL23293671 0.72 PTGER4 (0.54) PTGER4PTGER2KMT2AMEN1
SCHEMBL26630611 0.70 TMEM97 (0.50) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL23520450 0.70 ALDH1A1 (0.63) ALDH1A1TDP1L3MBTL1RAB9APOLB
SCHEMBL23293641 0.69 PTGER4 (0.57) PTGER4PTGER2PARP1
SCHEMBL50441 0.68 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1RAB9APOLB
SCHEMBL29388715 0.68 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1RAB9APOLB
SCHEMBL26630773 0.68 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405454-B1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-12-29 EP disclosed
US-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-06-10 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-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF IDO1, IDO2, INMT ALDH1A1 1952/4885TDP1 1242/4885L3MBTL1 4058/4885

“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.