SCHEMBL4164590

SCHEMBL4164590

Cc1ncccc1C(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
POLB P06746 2/20 0.53
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PDE2A O00408 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 2/20 0.50
P2RX7 Q99572 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 2/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL29944077 0.98 KMT2A (0.53) HTTPOLBALDH1A1KMT2AKDM4E
SCHEMBL28304921 0.93 ALDH1A1 (0.56) HTTPOLBALDH1A1KMT2AKDM4E
SCHEMBL19561856 0.86 KDM4E (0.57) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL12844486 0.86 SMN1; SMN2 (0.55) HTTPOLBALDH1A1KDM4ETSHR
SCHEMBL17540511 0.81 POLB (0.55) POLBALDH1A1KMT2AKDM4EPDE2A
SCHEMBL11204339 0.80 HTT (0.50) HTTPOLBALDH1A1KMT2AKDM4E
SCHEMBL28382554 0.80 NAPRT (0.56) HTTPOLBALDH1A1KMT2AKDM4E
SCHEMBL12833233 0.80 POLB (0.75) POLBALDH1A1KMT2AMEN1TDP1
SCHEMBL12844141 0.80 LMNA (0.53) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL12775512 0.80 POLB (0.50) HTTPOLBALDH1A1KMT2AKDM4E

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 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 (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R HTT 4858/4885POLB 3867/4885ALDH1A1 1465/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R HTT 4858/4885POLB 3867/4885ALDH1A1 1465/4885

“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.