SCHEMBL20051613

SCHEMBL20051613

CCNC(=O)c1c(Cl)cc(OC)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
TYK2 P29597 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
CSF1R P07333 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
RPS6KA3 P51812 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
PRKCZ Q05513 2/20 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
SCHEMBL4147701 0.82 LMNA (0.46) LMNAKDM4EGAATYK2SMN1; SMN2
SCHEMBL4158159 0.81 CYP3A4 (0.50) LMNAKDM4EGAASMN1; SMN2PRKCZ
SCHEMBL14818820 0.80 PLK1 (0.48) LMNAHPGDSKDM4EGAATYK2
SCHEMBL14818812 0.77 TYK2 (0.43) HPGDSKDM4ETYK2SMN1; SMN2HSP90AA1
SCHEMBL28154597 0.77 KMT2A (0.49) TYK2KMT2APOLBHPGDMEN1
SCHEMBL7799270 0.77 KDM4E (0.69) HPGDSKDM4EGAASMN1; SMN2KMT2A
SCHEMBL20051730 0.76 TYK2 (0.42) LMNAKDM4EGAATYK2SMN1; SMN2
SCHEMBL7282028 0.76 CYP3A4 (0.55) KDM4EGAATYK2KMT2APOLB
SCHEMBL24740405 0.75 ALOX15 (0.50) LMNAHPGDSKDM4EKMT2AALDH1A1
SCHEMBL4155966 0.74 ALDH1A1 (0.61) TYK2POLBPRKCZALDH1A1HPGD

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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 LMNA 1251/4885HPGDS 3516/4885KDM4E 704/4885

“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.