SCHEMBL3031458

SCHEMBL3031458

CCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.78
▸ MAPT P10636 6/20 0.78
▸ MEN1 O00255 6/20 0.78
▸ KMT2A Q03164 6/20 0.78
▸ HPGD P15428 3/20 0.78
▸ KDM4E B2RXH2 3/20 0.78
▸ NPSR1 Q6W5P4 2/20 0.60
▸ USP2 O75604 2/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ HTT P42858 3/20 0.55
▸ GAA P10253 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ PKM P14618 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ THRB P10828 1/20 0.50

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
SCHEMBL3024327 0.79 ALDH1A1 (0.77) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3024864 0.76 MEN1 (0.83) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3031459 0.75 MAPT (1.00) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3023642 0.75 MAPT (0.80) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL24953240 0.73 KDM4E (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29625751 0.73 KDM4E (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1862507 0.72 KMT2A (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20715314 0.72 MAPK1 (0.72) ALDH1A1MAPTKMT2AKDM4ENPSR1
SCHEMBL3026057 0.70 PKM (0.84) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3022079 0.69 MAPT (0.86) ALDH1A1MAPTMEN1KMT2AHPGD

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 ALDH1A1 3404/4885MAPT 1849/4885MEN1 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.

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