SCHEMBL4160378

SCHEMBL4160378

O=C(O)C1CCCC1.O=c1[nH]c2ccccc2c2cc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PADI4 Q9UM07 4/20 0.41
KDM4E B2RXH2 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TNKS O95271 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PARP1 P09874 1/20 0.41
GPR3 P46089 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
PARP15 Q460N3 1/20 0.41

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
SCHEMBL4166122 0.83 MAPK10 (0.34) KDM4EHSD17B10ALDH1A1PARP1
SCHEMBL2552450 0.82 KDM4E (0.59) SMN1; SMN2KDM4ETDP1HSD17B10ALDH1A1
SCHEMBL30577488 0.82 KDM4E (0.59) SMN1; SMN2KDM4ETDP1HSD17B10ALDH1A1
Propionic Acid SCHEMBL4171576 0.79 PIM1 (0.46) RAB9AKDM4ETDP1HSD17B10ALDH1A1
Butyric Acid SCHEMBL4162573 0.76 KDM4E (0.46) RAB9APOLBKDM4ETDP1HSD17B10
SCHEMBL4159560 0.76 VCP (0.41)
3-Methylbutanoic Acid SCHEMBL4162528 0.74 PIM1 (0.43) RAB9ASMN1; SMN2KDM4ETDP1HSD17B10
SCHEMBL4157595 0.73 PARG (0.50) POLBSMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL13738861 0.70 PARP1 (0.61) SMN1; SMN2KDM4ETDP1HSD17B10ALDH1A1
SCHEMBL30577482 0.70 PARP1 (0.61) SMN1; SMN2KDM4ETDP1HSD17B10ALDH1A1

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 NPC1 3366/4885RAB9A 2269/4885POLB 1007/4885

“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.