SCHEMBL20102974

SCHEMBL20102974

Clc1ccc(-n2ncc3c(NCCN4CCCC4)nc(Cl)nc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
ALDH1A1 P00352 7/20 0.60
HSD17B10 Q99714 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HPGD P15428 5/20 0.60
MAPK1 P28482 2/20 0.60
TSHR P16473 2/20 0.60
NR2F2 P24468 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
RAB9A P51151 11/20 0.55
NPC1 O15118 10/20 0.55
LMNA P02545 1/20 0.48
PDE2A O00408 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALOX12 P18054 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
HIF1A Q16665 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
SCHEMBL25681055 0.91 KDM4E (0.53) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL20102972 0.90 ALDH1A1 (0.74) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL25681303 0.80 ALDH1A1 (0.72) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL25681242 0.79 ALDH1A1 (0.69) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL20103018 0.74 KDM4E (0.76) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL31706519 0.73 CYP1A2 (0.54) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL15598872 0.72 CYP2D6 (0.72) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL2189895 0.71 CYP1A2 (0.58) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL4089490 0.71 TOP2A (0.63) ALDH1A1HSD17B10MAPK1TSHRLMNA
SCHEMBL2809356 0.71 GRM1 (0.54) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD

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
US-20230181589-A1 PRMT5 INHIBITORS FOR OCULAR THERAPY NATIONAL INSTITUTES OF HEALTH 2023-06-15 US disclosed
US-20230181589-A1 PRMT5 INHIBITORS FOR OCULAR THERAPY NATIONAL INSTITUTES OF HEALTH 2023-06-15 US disclosed
US-11034689-B2 Small molecule protein arginine methyltransferase 5 (PRMT5) inhibitors and methods of treatment THE TRUSTEES OF INDIANA UNIVERSITY (US) 2021-06-15 US disclosed
US-20200062745-A1 Small Molecule Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors and Methods of Treatment INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-02-27 US disclosed
WO-2018081451-A1 SMALL MOLECULE PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) INHIBITORS AND METHODS OF TREATMENT INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-05-03 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 (3 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-11034689-B2 Small molecule protein arginine methyltransferase 5 (PRMT5) inhibitors and methods of treatment PRMT5, PRMT1, PRMT3 KDM4E 141/4885ALDH1A1 3681/4885HSD17B10 2611/4885
US-20200062745-A1 Small Molecule Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors and Methods of Treatment PRMT5, PRMT1, PRMT3 KDM4E 141/4885ALDH1A1 3681/4885HSD17B10 2611/4885
US-20230181589-A1 PRMT5 INHIBITORS FOR OCULAR THERAPY PRMT5, PRMT1, PRMT3 KDM4E 66/4885ALDH1A1 4366/4885HSD17B10 3917/4885

“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.