SCHEMBL3225927

SCHEMBL3225927

CCC(Nc1cc(-c2ccccc2)nc(Cl)n1)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.37
BACE1 P56817 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
ADORA2A P29274 5/20 0.35

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
SCHEMBL3451792 0.73 MEN1 (0.59) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL3327779 0.70 PRKCD (0.48) CYP1A2
SCHEMBL3229148 0.68 SMN1; SMN2 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3233891 0.68 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3237770 0.68 SMN1; SMN2 (0.54) MEN1KMT2ACYP2D6CYP1A2MAPT
SCHEMBL3228721 0.68 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3633378 0.67 CHRNB2 (0.36) MEN1KMT2ABACE1SLC6A2SLC6A4
SCHEMBL3227322 0.67 HRH4 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3450507 0.67 CDC7 (0.53) MEN1KMT2ACYP2D6CYP1A2MAPT
SCHEMBL3473227 0.66 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1HPGD

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
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

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 MEN1 1320/4885KMT2A 739/4885CYP2D6 606/4885

“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.