SCHEMBL598102

SCHEMBL598102

ClNc1ccc2cccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.58
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
BAZ1A Q9NRL2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
P2RY14 Q15391 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
CASP6 P55212 1/20 0.44
TRPV1 Q8NER1 4/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL22658423 0.81 ALDH1A1 (0.53) NR4A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL3072828 0.81 ALDH1A1 (0.58) NR4A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL29697303 0.81 ALDH1A1 (0.58) NR4A2ALDH1A1MEN1KMT2ACASP1
Hydrochloric Acid SCHEMBL25219076 0.79 ALDH1A1 (0.52) NR4A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL21101485 0.78 ALDH1A1 (0.58) NR4A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL20206686 0.77 ALDH1A1 (0.53) NR4A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL18789747 0.77 MEN1 (0.50) NR4A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL12890525 0.77 ALDH1A1 (0.53) NR4A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL14805621 0.77 ALDH1A1 (0.53) NR4A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL27389314 0.77 MEN1 (0.76) ALDH1A1MEN1KMT2ACASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479803-B2 Antimalarial compounds UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2025-11-25 US disclosed
US-20220204452-A1 ANTIMALARIAL COMPOUNDS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2022-06-30 US disclosed
WO-2020206252-A1 ANTIMALARIAL COMPOUNDS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2020-10-08 WO disclosed
US-8114892-B2 Methods and compositions for the treatment of Parkinson's Disease THE MCLEAN HOSPITAL CORPORATION (US) 2012-02-14 US disclosed
US-20090226401-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PARKINSON'S DISEASE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-09-10 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 (3 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-20090226401-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PARKINSON'S DISEASE PARK7, SNCA, RAB7A NR4A2 4153/4885ALDH1A1 436/4885MEN1 3951/4885
US-12479803-B2 Antimalarial compounds H1-3, FPR3, NHERF1 NR4A2 2183/4885ALDH1A1 3012/4885MEN1 308/4885
US-20220204452-A1 ANTIMALARIAL COMPOUNDS H1-3, FPR3, NHERF1 NR4A2 2183/4885ALDH1A1 3012/4885MEN1 308/4885

“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.