SCHEMBL4460071

SCHEMBL4460071

O=C(O)c1ccc(-c2ccc(OC(F)F)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
CHEK1 O14757 1/20 0.47
ALKBH1 Q13686 2/20 0.46
P4HA1 P13674 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ADH5 P11766 1/20 0.45
ATM Q13315 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.43
ADAM17 P78536 1/20 0.43
KMT2A Q03164 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
SCHEMBL4462126 0.80 RXFP1 (0.68) LDHANPC1RAB9ASMN1; SMN2TP53
SCHEMBL1018588 0.79 KMT2A (0.64) TP53ATMMRGPRX4ALOX15GFER
SCHEMBL31375571 0.78 CHRNA7 (0.46) NPC1RAB9ARXFP1KMT2A
SCHEMBL31664992 0.78 KDM1A (0.46) NPC1RAB9ASMN1; SMN2TP53RXFP1
SCHEMBL28312333 0.77 LDHA (0.81) LDHANPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL9015381 0.77 KMT2A (0.62) TP53ATMMRGPRX4ALOX15GFER
SCHEMBL30753641 0.77 LDHA (0.81) LDHANPC1RAB9ASMN1; SMN2TP53
SCHEMBL22658073 0.77 HDAC4 (0.50) ALKBH1ATMMRGPRX4ALOX15GFER
SCHEMBL34469508 0.77 LDHA (0.41) LDHAALKBH1ATMMRGPRX4HDAC4
SCHEMBL31426905 0.76 LDHA (0.67) LDHANPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
CN-100418965-C Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2008-09-17 CN disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
CN-1835950-A Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2006-09-20 CN disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 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-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R LDHA 2802/4885NPC1 2382/4885RAB9A 1979/4885

“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.