SCHEMBL3022255

SCHEMBL3022255

CCCn1c(NCc2cc(C)ccc2O)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
ALDH1A1 P00352 6/20 1.00
POLB P06746 2/20 1.00
HPGD P15428 3/20 0.77
GAA P10253 3/20 0.77
GFER P55789 1/20 0.77
MAPK1 P28482 3/20 0.73
USP2 O75604 2/20 0.73
TP53 P04637 3/20 0.69
NPSR1 Q6W5P4 2/20 0.64
PKM P14618 2/20 0.61
TSHR P16473 2/20 0.61
HTT P42858 3/20 0.60
ALOX15 P16050 1/20 0.60
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 2/20 0.58
CASP1 P29466 1/20 0.58

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
SCHEMBL3021963 0.93 MAPT (0.88) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3024864 0.91 MEN1 (0.83) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3028381 0.88 MAPT (0.88) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3022079 0.87 MAPT (0.86) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3024150 0.86 MEN1 (0.79) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3017681 0.81 MEN1 (1.00) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL20715589 0.78 MAPT (0.91) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3031459 0.78 MAPT (1.00) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3023642 0.78 MAPT (0.80) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL20715322 0.77 SMN1; SMN2 (0.81) MAPTMEN1KMT2AALDH1A1POLB

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 MAPT 1849/4885MEN1 1626/4885KMT2A 4412/4885

“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.