SCHEMBL14909009

SCHEMBL14909009

COCCOc1cccc2cc(Br)cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.49
KDM4E B2RXH2 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 6/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 3/20 0.43
HPGDS O60760 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL18238944 0.85 MCHR1 (0.54) LMNAKDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL13255497 0.83 HPGDS (0.60) LMNAKDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL14909856 0.79 KDM4E (0.52) LMNAKDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL18229795 0.77 MEN1 (0.50) KDM4ESMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL1101341 0.76 MAPT (0.69) LMNAKDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL10077040 0.76 SMN1; SMN2 (0.44) LMNAKDM4ESMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL9052047 0.75 MAPT (0.67) LMNAKDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL23247850 0.73 ALPL (0.41) LMNAKDM4ESMN1; SMN2RAB9AHPGDS
Hydrochloric Acid SCHEMBL9438985 0.72 MAPT (0.68) LMNAKDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL14391798 0.72 NCF1 (0.50) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK LMNA 3649/4885KDM4E 2420/4885SMN1; SMN2 2190/4885

“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.