SCHEMBL15540477

SCHEMBL15540477

NCc1c(Cl)cccc1OC(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.57
TAAR1 Q96RJ0 2/20 0.42
ALDH1A1 P00352 3/20 0.42
PNMT P11086 2/20 0.38
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
P2RX7 Q99572 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL319800 0.82 ALDH1A1 (0.46) DPP4TAAR1ALDH1A1KCNJ5KCNJ3
SCHEMBL16797182 0.80 SLC6A2 (0.46) DPP4TAAR1ALDH1A1SLC6A2SLC6A4
SCHEMBL12016059 0.79 ALDH1A1 (0.40) DPP4ALDH1A1KCNJ5KCNJ3P2RX7
SCHEMBL31437487 0.79 KMT2A (0.38) DPP4ALDH1A1SLC6A2SLC6A4KCNH2
SCHEMBL23326007 0.76 ALDH1A1 (0.45) DPP4ALDH1A1KCNJ5KCNJ3P2RX7
SCHEMBL2380131 0.76 DPP4 (0.62) DPP4TAAR1ALDH1A1PNMTMAPT
SCHEMBL8047355 0.74 ALDH1A1 (0.50) ALDH1A1SLC6A2SLC6A4MAPTHTT
Hydrochloric Acid SCHEMBL2379527 0.74 DPP4 (0.61) DPP4TAAR1ALDH1A1PNMTMAPT
SCHEMBL110460 0.73 TAAR1 (0.64) DPP4TAAR1PNMTMAPTCYP1A2
SCHEMBL30155037 0.73 DPP4 (0.59) DPP4TAAR1PNMTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428293-B Adjust the benzimidazole of TNF α UCB生物制药私人有限公司 2018-06-08 CN disclosed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 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 (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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA DPP4 557/4885TAAR1 2470/4885ALDH1A1 317/4885

“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.