SCHEMBL4486601

SCHEMBL4486601

CC(=O)/C=C/c1ccc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 4/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
RAB9A P51151 5/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
DAO P14920 1/20 0.41
LMNA P02545 1/20 0.40
IAPP P10997 2/20 0.39
MEN1 O00255 2/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNFRSF1A P19438 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
SCHEMBL4486603 1.00 GLA (0.44) GLATDP1KMT2AMAPK1ALDH1A1
SCHEMBL1775432 0.84 KMT2A (0.56) KMT2AMAPK1ALDH1A1KDM4ECES2
SCHEMBL1775435 0.84 KMT2A (0.56) KMT2AMAPK1ALDH1A1KDM4ECES2
SCHEMBL28774607 0.82 CES2 (0.41) KMT2AMAPK1ALDH1A1KDM4ECES2
SCHEMBL68057 0.82 CA12 (0.46) KMT2AMAPK1ALDH1A1KDM4ERAB9A
SCHEMBL3475868 0.82 ALDH1A1 (0.45) KMT2AMAPK1ALDH1A1KDM4ECES2
SCHEMBL68058 0.82 CA12 (0.46) KMT2AMAPK1ALDH1A1KDM4ERAB9A
SCHEMBL17157651 0.81 DAO (0.42) KMT2AMAPK1ALDH1A1KDM4ECES2
SCHEMBL17157652 0.81 DAO (0.42) KMT2AMAPK1ALDH1A1KDM4ECES2
SCHEMBL17158027 0.79 RAB9A (0.39) KMT2AMAPK1ALDH1A1KDM4ECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022158624-A1 NOVEL BENZOPYRAN DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND ANTICANCER COMPOSITION COMPRISING SAME 연세대학교 산학협력단 2022-07-28 WO disclosed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK GLA 3101/4885TDP1 478/4885KMT2A 1582/4885

“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.