SCHEMBL3704191

SCHEMBL3704191

O=C(c1ccccc1)c1cncnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
AKR1C3 P42330 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.43
VNN1 O95497 1/20 0.43
NR4A1 P22736 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BCAT2 O15382 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NFKB1 P19838 1/20 0.40
PPARG P37231 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NCOA2 Q15596 1/20 0.40

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
SCHEMBL16387882 0.80 TUBB4A (0.43) MAPTNPC1RAB9AHTTNFKB1
SCHEMBL16347432 0.78 POLB (0.36) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL16347330 0.78 NAE1 (0.51) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL8577575 0.78 ALDH1A1 (0.44) KMT2AAKR1C3MEN1ALDH1A1VNN1
SCHEMBL1344662 0.77 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16347095 0.77 NAE1 (0.33) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL5001988 0.76 AKR1C3 (0.44) KMT2AAKR1C3MEN1ALDH1A1NR4A1
SCHEMBL903214 0.76 ALDH1A1 (0.52) KMT2AAKR1C3MEN1ALDH1A1NR4A1
Hydrochloric Acid SCHEMBL4826150 0.76 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3709112 0.75 SMN1; SMN2 (0.67) KMT2AAKR1C3MEN1ALDH1A1NR4A1

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-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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 (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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 KMT2A 1032/4885AKR1C3 43/4885MEN1 1674/4885

“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.