SCHEMBL21974448

SCHEMBL21974448

CC(N)COc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 3/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CYP3A4 P08684 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
HIF1A Q16665 1/20 0.55
GMNN O75496 1/20 0.55
APEX1 P27695 1/20 0.55
PMP22 Q01453 1/20 0.55
HTT P42858 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
NPC1 O15118 2/20 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
SCHEMBL21650358 0.90 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL18580814 0.88 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL21471161 0.84 HTT (0.58) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL18579907 0.83 HTT (0.51) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10677656 0.81 HTT (0.61) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL18612170 0.81 HTT (0.66) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL17859587 0.81 HTT (0.66) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10963796 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL21043548 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL18612203 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDNPSR1CYP3A4

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-11083717-B2 Compositions and methods for drug sensitization of parasites THE TEXAS A&M UNIVERSITY SYSTEM (US) 2021-08-10 US disclosed
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM 2020-05-07 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 (2 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-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, ABCG2 ALDH1A1 839/4885CYP1A2 90/4885HPGD 313/4885
US-11083717-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 ALDH1A1 839/4885CYP1A2 90/4885HPGD 313/4885

“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.