SCHEMBL3950719

SCHEMBL3950719

O=Cc1ccc(Br)cc1Oc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.42
GRM5 P41594 1/20 0.42
CYP19A1 P11511 3/20 0.42
ORAI1 Q96D31 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ERN1 O75460 2/20 0.39
MAPT P10636 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
SCHEMBL4464378 0.82 LMNA (0.62) LMNAALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL4366241 0.80 LMNA (0.66) LMNATDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1134294 0.79 LMNA (0.57) LMNATDP1ALDH1A1SMN1; SMN2GRM5
SCHEMBL433463 0.76 ALDH1A1 (0.58) LMNATDP1ALDH1A1KMT2ACYP1A2
SCHEMBL21858421 0.74 PPARG (0.47) LMNAALDH1A1KMT2ACYP3A4GAA
SCHEMBL1957491 0.73 HSD17B10 (0.59) LMNATDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13160900 0.73 LMNA (0.42) LMNAALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL12953293 0.73 NPSR1 (0.64) LMNATDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8306355 0.72 LMNA (0.51) LMNATDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL17423729 0.72 LMNA (0.56) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US disclosed
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
EP-2046747-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-15 EP disclosed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US disclosed
US-20080045508-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
WO-2008002818-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO disclosed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO 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 (3 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-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 LMNA 4575/4885TDP1 3009/4885ALDH1A1 1869/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 LMNA 4575/4885TDP1 3009/4885ALDH1A1 1869/4885
US-20080045508-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS HNMT, HRH3, HRH4 LMNA 4539/4885TDP1 3209/4885ALDH1A1 1840/4885

“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.