SCHEMBL2138561

SCHEMBL2138561

NNc1nc2cc(Cl)cc(Cl)c2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 7/20 0.53
ALDH1A1 P00352 7/20 0.53
LMNA P02545 5/20 0.53
GAA P10253 5/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 3/20 0.53
ALOX12 P18054 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
POLB P06746 2/20 0.49
TDP1 Q9NUW8 4/20 0.41
PKM P14618 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
AKR1B1 P15121 1/20 0.32

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
SCHEMBL17609927 0.77 ALDH1A1 (0.52) MAPTALDH1A1LMNAGAARAB9A
SCHEMBL18791381 0.75 ALDH1A1 (0.36) IDO1ALDH1A1GAARAB9ANPC1
SCHEMBL11594887 0.73 SMN1; SMN2 (0.42) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL25418066 0.73 HTT (0.40) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL2137684 0.73 IDO1 (1.00) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL2138941 0.73 ALDH1A1 (0.61) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL10516117 0.69 AKR1B1 (0.41) ALDH1A1AKR1B1LOXL2
SCHEMBL2116067 0.69 MEN1 (1.00) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL2136966 0.67 KDM4E (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2139812 0.67 MEN1 (0.57) IDO1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 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 (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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR IDO1 233/4885MEN1 3325/4885KMT2A 575/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR IDO1 233/4885MEN1 3325/4885KMT2A 575/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR IDO1 233/4885MEN1 3325/4885KMT2A 575/4885

“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.