SCHEMBL2777190

SCHEMBL2777190

CCOC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCc1sc(Cl)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ GABRG2 P18507 4/20 0.40
▸ GABRB3 P28472 4/20 0.40
▸ GABRA5 P31644 4/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ CNR1 P21554 9/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GABRP O00591 1/20 0.39

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
SCHEMBL3028408 0.86 L3MBTL1 (0.41) CNR1L3MBTL1CNR2
SCHEMBL1703578 0.85 KDM4E (0.50) KDM4EMAPTGABRA2GABRB2CNR1
SCHEMBL2773467 0.78 KDM4E (0.50) KDM4EMAPTCNR1MEN1KMT2A
SCHEMBL2774189 0.76 KDM4E (0.49) KDM4EMAPTGABRA2GABRB2CNR1
SCHEMBL2773654 0.76 KDM4E (0.43) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL2773251 0.74 KDM4E (0.43) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL2774670 0.74 CNR2 (0.59) CNR1CNR2
SCHEMBL2774623 0.74 MAPT (0.43) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL24209080 0.74 CNR1 (0.54) CNR1CNR2
SCHEMBL30529482 0.72 MAPT (0.53) KDM4ETP53SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230243-A1 Pharmaceutical compounds Neuroscienze Pharmaness S.C. A R.L. (IT) 2010-09-22 — — EP disclosed
US-20100215759-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-08-26 — — US disclosed
US-20100215759-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-08-26 — — US disclosed
US-20100215759-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-08-26 — — 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-20100215759-A1 PHARMACEUTICAL COMPOUNDS CNR2, CNR1, OPRK1 ALDH1A1 3334/4885KDM4E 996/4885TP53 4475/4885

“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.

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