SCHEMBL20066443

SCHEMBL20066443

NC(=O)c1cc(OCCCC2CCCCC2)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRSS1 P07477 4/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SCN9A Q15858 1/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL19436539 0.86 THRB (0.39) KMT2ASMN1; SMN2ALDH1A1PRSS1MAPT
SCHEMBL19451511 0.85 PRSS1 (0.36) HPGDKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL19451492 0.84 PRSS1 (0.51) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL19436516 0.82 GPR119 (0.49) SCN9A
SCHEMBL25812585 0.82 ALDH1A1 (0.39) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL28308732 0.81 PARP15 (0.46) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL30803074 0.81 PARP15 (0.46) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL21156963 0.81 LMNA (0.40) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL22121409 0.81 PRSS1 (0.48) KMT2ASMN1; SMN2ALDH1A1PRSS1MAPT
SCHEMBL22121068 0.80 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS RB1, RBBP5, RCC2 HPGD 4329/4885KMT2A 1428/4885SMN1; SMN2 2058/4885

“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.