SCHEMBL16794706

SCHEMBL16794706

Cc1c2ccccc2c(O)n1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ GFER P55789 1/20 0.35

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
SCHEMBL16794726 0.77 MYC (0.41) MYCALDH1A1KDM4EMAPTMEN1
SCHEMBL27504693 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31668450 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28208533 0.69 POLB (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1075595 0.69 POLB (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16009974 0.69 POLB (0.48) MYCALDH1A1KDM4EMAPTMEN1
SCHEMBL30344008 0.69 POLB (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1180653 0.69 POLB (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL996292 0.67 ABCB1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL23854172 0.66 POLB (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A

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
EP-3080120-B1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-06-19 — — EP disclosed
US-10004737-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BY) 2018-06-26 — — US disclosed
US-20170128445-A1 Fused Imidazole and Pyrazole Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2017-05-11 — — US disclosed
EP-3080120-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 — — EP disclosed
WO-2015086512-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 — — WO 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-10004737-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity TNF, TNFRSF1A, TNFRSF9 MYC 3217/4885ALDH1A1 1594/4885KDM4E 4258/4885
US-20170128445-A1 Fused Imidazole and Pyrazole Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 MYC 3230/4885ALDH1A1 1651/4885KDM4E 4284/4885

“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.

Send feedback