SCHEMBL1815400

SCHEMBL1815400

O=C(CNCc1ccc(Br)cc1)NC1CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 2/20 0.58
SIGMAR1 Q99720 1/20 0.51
GID4 Q8IVV7 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.45
CTDSP1 Q9GZU7 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 1/20 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
SCHEMBL11304376 0.84 LMNA (0.69) ALDH1A1RAB9ASIGMAR1GID4KDM4E
SCHEMBL3213006 0.82 LMNA (0.69) ALDH1A1RAB9ASIGMAR1SMN1; SMN2LMNA
SCHEMBL31248387 0.78 L3MBTL1 (0.60) ALDH1A1GID4KDM4ECTDSP1POLB
SCHEMBL19254905 0.76 SMN1; SMN2 (0.72) ALDH1A1RAB9ASIGMAR1SMN1; SMN2LMNA
SCHEMBL15678797 0.75 HDAC1 (0.56) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL841278 0.74 L3MBTL1 (0.50) KMT2AMEN1
SCHEMBL30662307 0.74 SMN1; SMN2 (0.74) ALDH1A1RAB9ASIGMAR1SMN1; SMN2LMNA
SCHEMBL15678794 0.74 HDAC1 (0.58) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL839589 0.73 KMT2A (0.47) ALDH1A1LMNAPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL20658835 0.73 L3MBTL1 (0.49) LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-7960560-B2 1-(biphenyl-4-ylmethyl)imidazolidine-2,4-dione N.V. ORGANON (NL) 2011-06-14 US disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 WO disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 WO disclosed
US-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE N. V. ORGANON 2010-06-10 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 (2 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-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE OPRM1, OR10J3, OPRD1 ALDH1A1 3054/4885RAB9A 2526/4885SIGMAR1 34/4885
US-20120220622-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIN3A, GRIN2D ALDH1A1 118/4885RAB9A 1781/4885SIGMAR1 505/4885

“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.