SCHEMBL5700542

SCHEMBL5700542

O=C(Oc1ccccc1)c1cc(Br)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 6/20 0.49
CYP1A2 P05177 2/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.46
KMT2A Q03164 4/20 0.44
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NSD2 O96028 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL69530 0.82 MAPT (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL5700035 0.81 MAPT (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL5700381 0.81 MAPT (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL28196130 0.79 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL30185288 0.78 MAPT (0.69) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL3961211 0.78 MAPT (0.69) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL25591895 0.77 SMN1; SMN2 (0.54) ALDH1A1KDM4ESMN1; SMN2POLBKMT2A
SCHEMBL11679598 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL29735357 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL106793 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2

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-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885KDM4E 2983/4885SMN1; SMN2 4601/4885

“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.