SCHEMBL3021963

SCHEMBL3021963

CCCCn1c(NCc2cc(C)ccc2O)nc2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.88
ALDH1A1 P00352 7/20 0.88
MEN1 O00255 5/20 0.88
KMT2A Q03164 5/20 0.88
POLB P06746 1/20 0.88
TP53 P04637 5/20 0.79
MAPK1 P28482 4/20 0.78
HPGD P15428 3/20 0.78
GAA P10253 4/20 0.73
GFER P55789 1/20 0.73
USP2 O75604 1/20 0.70
NPSR1 Q6W5P4 1/20 0.62
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 3/20 0.58
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 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
SCHEMBL3022255 0.93 MAPT (1.00) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3024864 0.89 MEN1 (0.83) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL20715589 0.83 MAPT (0.91) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13166612 0.82 MAPT (0.85) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3028381 0.81 MAPT (0.88) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3022079 0.80 MAPT (0.86) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3017681 0.80 MEN1 (1.00) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3024150 0.80 MEN1 (0.79) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL27898285 0.79 ALDH1A1 (0.83) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL3023642 0.76 MAPT (0.80) MAPTALDH1A1MEN1KMT2APOLB

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 1849/4885ALDH1A1 3404/4885MEN1 1626/4885

“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.