SCHEMBL29478484

SCHEMBL29478484

Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
PDE5A O76074 3/20 1.00
ALDH1A1 P00352 2/20 1.00
KDM4E B2RXH2 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
HPGD P15428 1/20 1.00
ALOX15 P16050 1/20 1.00
CYP2C19 P33261 1/20 1.00
PDE1A P54750 1/20 1.00
PDE1B Q01064 1/20 1.00
PDE3B Q13370 1/20 1.00
PDE1C Q14123 1/20 1.00
PDE3A Q14432 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HSD17B10 Q99714 1/20 1.00
KDR P35968 5/20 0.72
NPSR1 Q6W5P4 2/20 0.61

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
SCHEMBL29478480 1.00 MAPT (1.00) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL1752920 1.00 MAPT (1.00) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL7912100 0.89 MAPT (0.81) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL7913391 0.89 MAPT (0.81) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL8025428 0.88 ALDH1A1 (0.79) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL7914878 0.88 MAPT (0.79) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL7918565 0.88 KDR (0.81) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL7918387 0.86 MAPT (0.75) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL8021598 0.85 NPSR1 (0.79) MAPTPDE5AALDH1A1KDM4ECYP1A2
SCHEMBL7913416 0.84 NPSR1 (0.73) MAPTPDE5AALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220087970-A1 PREVENTION OF ANESTHETIC-INDUCED NEUROCOGNITIVE DYSFUNCTION THE JOHNS HOPKINS UNIVERSTY 2022-03-24 US claimed

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-20220087970-A1 PREVENTION OF ANESTHETIC-INDUCED NEUROCOGNITIVE DYSFUNCTION PYGB, PRKG1, ACHE MAPT 659/4885PDE5A 39/4885ALDH1A1 1525/4885

“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.