SCHEMBL4367865

SCHEMBL4367865

COc1cccc([N+](=O)[O-])c1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
PDE5A O76074 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.41
MAPT P10636 3/20 0.40
PRMT1 Q99873 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL31119225 0.81 TDP1 (0.71) ALDH1A1TDP1L3MBTL1HTR1AADRA1D
SCHEMBL2088309 0.81 TDP1 (0.71) ALDH1A1TDP1L3MBTL1HTR1AADRA1D
SCHEMBL31119224 0.81 TDP1 (0.71) ALDH1A1TDP1L3MBTL1HTR1AADRA1D
SCHEMBL2902645 0.81 PDE5A (0.46) ALDH1A1TDP1PDE5AL3MBTL1KMT2A
SCHEMBL27199289 0.79 ALDH1A1 (0.47) ALDH1A1TDP1PDE5AL3MBTL1KMT2A
SCHEMBL1473123 0.79 SCD (0.55) ALDH1A1TDP1PDE5AL3MBTL1KMT2A
SCHEMBL4799474 0.78 SMN1; SMN2 (0.39) ALDH1A1TDP1PDE5AKMT2AMEN1
SCHEMBL7358834 0.78 PRMT1 (0.69) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL7388736 0.78 PRMT1 (0.69) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL3800700 0.77 SCD (0.54) ALDH1A1TDP1PDE5AL3MBTL1KMT2A

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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
WO-2008006052-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 552/4885TDP1 215/4885PDE5A 10/4885

“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.