SCHEMBL26467446

SCHEMBL26467446

C(/C=C/c1cc2ccccc2[nH]1)=C\c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.55
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP1A2 P05177 5/20 0.45
CYP2D6 P10635 4/20 0.45
CYP1A1 P04798 4/20 0.45
CYP1B1 Q16678 4/20 0.45
CYP3A4 P08684 3/20 0.45
IDO1 P14902 3/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAP2K1 Q02750 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
SCHEMBL8578555 0.91 PADI4 (0.57) PADI4CYP19A1CYP11B1CYP11B2NPC1
SCHEMBL26467467 0.85 CYP2A6 (0.47) PADI4CYP19A1CYP2A6CYP1A2CYP2D6
SCHEMBL26467485 0.84 ATP6V1B1 (0.49) PADI4CYP19A1CYP2A6CYP1A2CYP2D6
SCHEMBL26467449 0.83 CYP2A6 (0.55) NPC1RAB9AMEN1KMT2ACYP2A6
SCHEMBL15359580 0.81 CYP2A6 (0.64) NPC1RAB9ACYP2A6CYP1A2CYP2D6
SCHEMBL26467457 0.80 ATP6V1B1 (0.49) PADI4CYP19A1RAB9AKMT2ACYP2A6
SCHEMBL26467443 0.76 CYP2A6 (0.50) NPC1RAB9AMEN1KMT2ACYP2A6
SCHEMBL26468218 0.76 NPC1 (0.37) PADI4CYP11B1CYP11B2NPC1RAB9A
SCHEMBL2458425 0.74 CYP2A6 (0.69) NPC1RAB9ACYP2A6CYP1A2CYP2D6
SCHEMBL2458423 0.74 CYP2A6 (0.69) NPC1RAB9ACYP2A6CYP1A2CYP2D6

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-20230133538-A1 TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-04 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-20230133538-A1 TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 MAPT, PSEN1, PSEN2 PADI4 4391/4885CYP19A1 3844/4885CYP11B1 4165/4885

“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.