SCHEMBL3268020

SCHEMBL3268020

COC(=O)C1(c2ccc(Nc3cc(NC(C)(C)C)nc(Cl)n3)cc2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
SLC2A1 P11166 1/20 0.35
GALR2 O43603 1/20 0.35
P2RY1 P47900 1/20 0.35
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 2/20 0.34
IDO1 P14902 3/20 0.34
KCNH2 Q12809 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
TTK P33981 1/20 0.33
RPS27 P42677 1/20 0.33
MAPK8 P45983 1/20 0.33
NCOA1 Q15788 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 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
SCHEMBL3418294 0.86 MEN1 (0.43) MAPTNPC1KMT2ARAB9A
SCHEMBL3420044 0.85 MEN1 (0.42) P2RY1NPC1KMT2ARAB9A
SCHEMBL3261030 0.81 P2RY1 (0.39) MAPTALDH1A1SMN1; SMN2SLC2A1GALR2
SCHEMBL3229728 0.81 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3236168 0.78 AKT1 (0.40) MAPTLMNAP2RY1NPC1MAPK8
SCHEMBL3268108 0.78 MAPT (0.43) MAPTLMNAP2RY1
SCHEMBL3420991 0.78 HRH3 (0.33) MAPTALDH1A1P2RY1KDM4EIDO1
SCHEMBL3237814 0.77 MAPT (0.35) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3233920 0.77 CYP2C19 (0.42) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3229585 0.76 SYK (0.40) MAPTALDH1A1LMNAP2RY1MAPK8

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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 MAPT 4861/4885ALDH1A1 2134/4885LMNA 4521/4885

“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.