SCHEMBL1807118

SCHEMBL1807118

CC(N)n1c(=O)ccc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
BRPF1 P55201 2/20 0.53
BRD4 O60885 1/20 0.53
KAT2B Q92831 1/20 0.53
BRD9 Q9H8M2 1/20 0.53
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
NOTUM Q6P988 1/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL11924989 0.85 CA12 (0.57) CA12CA9BRPF1BRD4KAT2B
SCHEMBL29941410 0.85 CA12 (0.57) CA12CA9BRPF1BRD4KAT2B
SCHEMBL27256571 0.81 CA12 (0.53) CA12CA9BRPF1BRD4KAT2B
SCHEMBL5197627 0.81 CA12 (0.53) CA12CA9BRPF1BRD4KAT2B
SCHEMBL7371817 0.79 CA12 (0.50) CA12CA9BRPF1BRD4KAT2B
SCHEMBL28399521 0.77 CA12 (0.52) CA12CA9BRPF1BRD4KAT2B
Hydrochloric Acid SCHEMBL18168120 0.75 HTR2A (0.47) BRPF1MAPTLMNAHTR2AHTR2C
SCHEMBL7957507 0.73 CA12 (0.47) CA12CA9BRPF1BRD4KAT2B
SCHEMBL19892640 0.70 CA12 (0.45) CA12CA9BRPF1BRD4KAT2B
SCHEMBL15621874 0.70 CA12 (0.44) CA12CA9BRPF1BRD4KAT2B

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-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same UNIVERSITY OF MIAMI (US) 2012-11-22 US disclosed
WO-2011057229-A2 FLUORESCENT ANALOGS OF NEUROTRANSMITTERS, COMPOSITIONS CONTAINING THE SAME AND METHODS OF USING THE SAME UNIVERSITY OF MIAMI (US) 2011-05-12 WO 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-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same HRH3, CHRNA4, HRH4 CA12 2087/4885CA9 1570/4885BRPF1 2433/4885

“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.