SCHEMBL20066440

SCHEMBL20066440

CB(O)NCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.61
KMT2A Q03164 2/20 0.60
PKM P14618 2/20 0.60
HCAR3 P49019 5/20 0.59
KDM4E B2RXH2 1/20 0.58
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
KAT2B Q92831 1/20 0.48

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
SCHEMBL20066439 0.89 HCAR3 (0.74) PRSS1PKMHCAR3MAPTCRHBP
SCHEMBL29513074 0.89 PRSS1 (0.75) PRSS1KMT2APKMHCAR3KDM4E
SCHEMBL29513080 0.86 PRSS1 (0.77) PRSS1KMT2APKMHCAR3KDM4E
SCHEMBL19451789 0.84 PRSS1 (0.68) PRSS1KMT2APKMHCAR3KDM4E
SCHEMBL29513025 0.84 KMT2A (0.76) PRSS1KMT2APKMHCAR3KDM4E
SCHEMBL19436444 0.83 PRSS1 (0.64) PRSS1KMT2APKMHCAR3KDM4E
Hydrochloric Acid SCHEMBL28720410 0.83 PRSS1 (0.69) PRSS1KMT2APKMHCAR3KDM4E
Hydrochloric Acid SCHEMBL19436442 0.83 PRSS1 (0.69) PRSS1KMT2APKMHCAR3KDM4E
SCHEMBL20066408 0.83 KMT2A (0.56) PRSS1KMT2APKMHCAR3KDM4E
SCHEMBL19436439 0.82 PKM (0.67) PRSS1KMT2APKMHCAR3KDM4E

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 PRSS1 2304/4885KMT2A 1428/4885PKM 3133/4885

“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.