SCHEMBL16756302

SCHEMBL16756302

Cc1nc2ccc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.40
PPARA Q07869 2/20 0.40
TNF P01375 1/20 0.39
SPHK1 Q9NYA1 1/20 0.37
MGLL Q99685 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
EED O75530 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
DGAT1 O75907 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
WNT3A P56704 1/20 0.35
RET P07949 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
Hydrochloric Acid SCHEMBL16756445 0.90 PPARD (0.40) PPARDPPARATNFSPHK1GRIN1
SCHEMBL16756259 0.89 PPARD (0.40) PPARDPPARATNFSPHK1EED
SCHEMBL16756602 0.89 TLR7 (0.38) PPARDPPARATNFGRIN1GRIN2B
SCHEMBL15560202 0.87 ITGB2 (0.37) PPARDPPARATNFGRIN1GRIN2B
SCHEMBL16756387 0.87 HTR6 (0.42) SPHK1GRIN1GRIN2BTLR7
SCHEMBL16756277 0.86 METAP2 (0.38) PPARDPPARATNFSPHK1GRIN1
SCHEMBL20278327 0.82 TLR9 (0.42) SPHK1TLR7
SCHEMBL24060190 0.81 HTR6 (0.41) SPHK1TLR7RET
SCHEMBL16756251 0.81 WNT3A (0.41) PPARDPPARATNFSPHK1GRIN1
SCHEMBL18149839 0.81 TNF (0.41) TNFMGLLGRIN1GRIN2BEED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARD 537/4885PPARA 1431/4885TNF 1/4885

“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.