SCHEMBL4354122

SCHEMBL4354122

Oc1ccc(Br)cc1/C=N\c1ccccc1/N=C/c1cc(Br)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 5/20 0.61
KDM4E B2RXH2 4/20 0.61
GAA P10253 3/20 0.61
PKM P14618 1/20 0.61
CA12 O43570 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 1/20 0.58
CA1 P00915 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CASP1 P29466 2/20 0.54
MAOB P27338 1/20 0.53
CASP7 P55210 1/20 0.52
ERN1 O75460 1/20 0.52

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
SCHEMBL4354123 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12443192 0.93 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15600630 0.89 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL18717311 0.89 MAPT (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11429346 0.86 MEN1 (0.63) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12416679 0.84 SMN1; SMN2 (0.71) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL30342959 0.83 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12417120 0.81 CA12 (0.66) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2302287 0.79 KDM4E (0.73) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4348747 0.79 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AMAPTKDM4E

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
US-9475762-B2 Process for the preparation of urethanes COVESTRO DEUTSCHLAND AG (DE) 2016-10-25 US disclosed
US-20160152559-A1 PROCESS FOR THE PREPARATION OF URETHANES COVESTRO DEUTSCHLAND AG (DE) 2016-06-02 US disclosed
US-9284267-B2 Process for the preparation of urethanes BAYER MATERIALSCIENCE AG (DE) 2016-03-15 US disclosed
US-20090275771-A1 Process for the preparation of urethanes COVESTRO DEUTSCHLAND AG (DE) 2009-11-05 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-20160152559-A1 PROCESS FOR THE PREPARATION OF URETHANES OGG1, SOD1, DUOX2 ALDH1A1 1350/4885MEN1 3634/4885KMT2A 674/4885
US-20090275771-A1 Process for the preparation of urethanes OGG1, SOD1, DUOX2 ALDH1A1 1350/4885MEN1 3634/4885KMT2A 674/4885

“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.