SCHEMBL7626397

SCHEMBL7626397

COc1ccccc1NNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
CTSD P07339 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 4/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL1639354 0.89 CA1 (0.60) ALDH1A1MAPTMAPK1L3MBTL1GAA
SCHEMBL6889991 0.86 MAPT (0.59) ALDH1A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL17536014 0.86 MAPT (0.50) ALDH1A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL29744518 0.81 MAPT (0.72) ALDH1A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL2095055 0.81 MAPT (0.72) ALDH1A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL28860257 0.81 AHR (0.63) ALDH1A1MAPTGAAHTTNPC1
SCHEMBL11506266 0.80 MEN1 (0.53) ALDH1A1MAPTMAPK1L3MBTL1GAA
SCHEMBL22169131 0.79 ALDH1A1 (0.50) ALDH1A1MAPTCTSDTDP1MAPK1
Hydrochloric Acid SCHEMBL7128944 0.79 MAPT (0.70) ALDH1A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL22169140 0.79 GAA (0.51) ALDH1A1MAPTCTSDTDP1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
EP-1194409-A1 PYRAZOLIDINOL COMPOUNDS A-Viral AS (NO) 2002-04-10 EP disclosed
WO-2001000585-A1 PYRAZOLIDINOL COMPOUNDS A-VIRAL AS (NO) 2001-01-04 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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A ALDH1A1 417/4885MAPT 4568/4885CTSD 3836/4885

“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.