SCHEMBL12840583

SCHEMBL12840583

C#Cc1ccccc1NCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PGK1 P00558 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
CASP7 P55210 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6206235 0.79 TSHR (0.61) IDO1TSHRKDM4EHPGDHSD17B10
SCHEMBL5535596 0.79 IDO1 (0.40) IDO1TSHRKDM4EHPGDHSD17B10
Ammonia Solution, Strong SCHEMBL27856934 0.78 TSHR (0.59) IDO1TSHRKDM4EHPGDHSD17B10
SCHEMBL526384 0.77 IDO1 (0.52) IDO1TSHRMEN1KMT2AUSP2
SCHEMBL17923420 0.76 CA12 (0.50) IDO1TSHRKDM4EHPGDHSD17B10
SCHEMBL11468954 0.76 HSD17B10 (0.68) IDO1TSHRKDM4EHPGDHSD17B10
SCHEMBL14663521 0.76 TSHR (0.37) TSHRKDM4EHPGDHSD17B10MEN1
SCHEMBL14670113 0.76 CYP2C19 (0.44) KDM4EKMT2AMAPTHTTPOLB
SCHEMBL28183477 0.76 KDM4E (0.31) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL10430895 0.76 POLB (0.43) IDO1TSHRKDM4EHPGDHSD17B10

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
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 EP disclosed
WO-2023288253-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
US-20110065698-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-17 US disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 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 (2 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-20110065698-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 IDO1 1596/4885TSHR 3026/4885KDM4E 1300/4885
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 IDO1 1892/4885TSHR 3763/4885KDM4E 1746/4885

“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.