SCHEMBL12733301

SCHEMBL12733301

Cc1cc(NCCCCN)c2ccc3c(S(=O)(=O)O)cc(C)c4ccc1c2c43

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.37
FERMT2 Q96AC1 1/20 0.36
NQO2 P16083 3/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2D6 P10635 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL12733305 0.86 NQO2 (0.33) NQO2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL12733302 0.82 HDAC6 (0.33) NQO2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL20468810 0.81 NQO2 (0.35) NQO2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL18291043 0.77 ALDH1A1 (0.46) CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL12733298 0.75 KDM4E (0.33) ALDH1A1KMT2AKDM4EHSD17B10MAPT
SCHEMBL10082369 0.71 MPL (0.43) CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL1673086 0.71 CDC25A (0.43) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL22502968 0.71 NQO2 (0.32) NQO2CYP1A2
SCHEMBL17803468 0.71 HDAC3 (0.36) NQO2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9152694 0.70 RAPGEF4 (0.55) KAT2BNQO2ALDH1A1MEN1KMT2A

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-8658434-B2 Fluorescent pyrene compounds BIOTIUM, INC. (US) 2014-02-25 US disclosed
US-20110097735-A1 FLUORESCENT PYRENE COMPOUNDS BIOTIUM, INC. (US) 2011-04-28 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-20110097735-A1 FLUORESCENT PYRENE COMPOUNDS PAH, CYP1A1, PYCR1 KAT2B 3897/4885FERMT2 1265/4885NQO2 119/4885

“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.