SCHEMBL24222000

SCHEMBL24222000

C=C(Nc1ccc(Cl)cc1)n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
NOTUM Q6P988 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MDM2 Q00987 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL21883137 0.84 SMN1; SMN2 (0.49) PDE4BNOTUMKMT2AMEN1RAB9A
SCHEMBL24221968 0.84 PDE4B (0.43) PDE4BKMT2AMEN1RAB9ALMNA
SCHEMBL24221907 0.84 ALDH1A1 (0.44) PDE4BKMT2AMEN1RAB9ANPC1
SCHEMBL24221933 0.83 KMT2A (0.46) PDE4BKMT2AMEN1RAB9ALMNA
SCHEMBL24221853 0.78 MEN1 (0.47) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL24221901 0.77 MAPT (0.46) PDE4BKMT2AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL16339334 0.76 RAB9A (0.40) PDE4BNOTUMKMT2AMEN1RAB9A
SCHEMBL21883217 0.74 FBP1 (0.47) KMT2AMEN1LMNAMAPTCYP2C19
Hydrochloric Acid SCHEMBL16339335 0.72 NOS1 (0.41) PDE4BNOTUMKMT2AMEN1RAB9A
SCHEMBL13908224 0.71 PDE4B (0.34) PDE4BNOTUMKMT2AMEN1RAB9A

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-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION THE UAB RESEARCH FOUNDATION 2022-01-27 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-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 PDE4B 4696/4885NOTUM 2012/4885KMT2A 2961/4885

“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.