SCHEMBL21843249

SCHEMBL21843249

O=c1[nH]c(-c2ccc3ccccc3n2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
LMNA P02545 1/20 0.63
GAA P10253 1/20 0.63
HTT P42858 1/20 0.63
HIF1A Q16665 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TNKS2 Q9H2K2 8/20 0.63
TNKS O95271 7/20 0.63
PARP1 P09874 5/20 0.63
HPGD P15428 5/20 0.61
KDM4E B2RXH2 3/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
PKM P14618 2/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 1/20 0.56

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
SCHEMBL12758425 0.85 ALDH1A1 (0.73) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL6695759 0.82 TNKS2 (0.81) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL2913480 0.78 NPC1 (0.64) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL6122044 0.78 TNKS2 (0.56) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL6885282 0.78 TNKS (0.93) ALDH1A1NPC1RAB9ATNKS2TNKS
SCHEMBL258433 0.78 TNKS (1.00) ALDH1A1NPC1RAB9ATNKS2TNKS
SCHEMBL29592833 0.78 TNKS (1.00) ALDH1A1NPC1RAB9ATNKS2TNKS
SCHEMBL10709261 0.77 NPC1 (1.00) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL29764050 0.77 NPC1 (1.00) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL30169443 0.77 NPC1 (1.00) ALDH1A1NPC1RAB9ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 US disclosed
US-10988670-B2 Corrosion inhibition method for downhole metal tubing KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2021-04-27 US disclosed
US-10988671-B2 Corrosion inhibition method for downhole tools KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2021-04-27 US disclosed
US-20200362227-A1 CORROSION INHIBITION METHOD FOR DOWNHOLE TOOLS KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-11-19 US disclosed
US-20200362226-A1 CORROSION INHIBITION METHOD FOR DOWNHOLE METAL TUBING KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-11-19 US disclosed
US-10626319-B1 Methods of inhibiting corrosion with a pyrazine corrosion inhibitor KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-04-21 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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 ALDH1A1 87/4885NPC1 751/4885RAB9A 1418/4885

“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.