SCHEMBL3017224

SCHEMBL3017224

CC(C)n1c(NCc2cc(Cl)ccc2O)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
MAPT P10636 7/20 1.00
HTT P42858 3/20 1.00
NPSR1 Q6W5P4 2/20 0.72
TP53 P04637 1/20 0.67
PKM P14618 3/20 0.63
GFER P55789 2/20 0.63
HPGD P15428 2/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 3/20 0.57
USP2 O75604 1/20 0.57
HIF1A Q16665 1/20 0.57
ALDH1A1 P00352 5/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX15 P16050 1/20 0.53

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
SCHEMBL3017681 0.87 MEN1 (1.00) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3026423 0.86 MEN1 (0.77) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3022260 0.85 MEN1 (0.76) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3017675 0.84 MEN1 (0.84) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3031459 0.84 MAPT (1.00) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3028381 0.82 MAPT (0.88) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL20715689 0.74 MAPT (0.76) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL20715531 0.73 PKM (0.80) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL4388490 0.71 LMNA (1.00) MEN1KMT2AMAPTTP53PKM
SCHEMBL3024864 0.71 MEN1 (0.83) MEN1KMT2AMAPTHTTNPSR1

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-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 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 (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-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 MEN1 1626/4885KMT2A 4412/4885MAPT 1849/4885

“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.