SCHEMBL16756331

SCHEMBL16756331

Cc1nc2cc(F)c(Br)cc2n1Cc1cc(Cl)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
TNF P01375 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
DCTPP1 Q9H773 3/20 0.37
GALR3 O60755 2/20 0.36
NR2F2 P24468 2/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL16756298 0.90 TNF (0.42) TNFDCTPP1GALR3NR2F2RAB9A
SCHEMBL16756257 0.86 TNF (0.47) HPGDTSHRHTTTNFL3MBTL1
SCHEMBL16756385 0.85 GALR3 (0.41) HPGDTSHRHTTTNFL3MBTL1
SCHEMBL15553042 0.84 KMT2A (0.42) KMT2ADCTPP1GALR3NR2F2RAB9A
SCHEMBL16756359 0.79 DCTPP1 (0.43) HTTTNFDCTPP1GALR3NR2F2
SCHEMBL16756275 0.74 GRIN1 (0.47) GRIN1GRIN2B
SCHEMBL16756407 0.74 HPGD (0.44) HPGDTSHRHTTL3MBTL1KMT2A
SCHEMBL16756520 0.73 MEN1 (0.53) TSHRHTTTNFL3MBTL1KMT2A
SCHEMBL16756559 0.72 TNF (0.41) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL16756450 0.72 TNF (0.38) TSHRTNFPTGER1EIF4EBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HPGD 1362/4885TSHR 1696/4885HTT 1177/4885

“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.