SCHEMBL16756451

SCHEMBL16756451

Cc1nc2cc(F)c(-c3cnc(C4=CCC(C(=O)O)CC4)nc3)cc2n1Cc1cc(Cl)ccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CCNT1 O60563 9/20 0.35
CDK9 P50750 9/20 0.35
TNF P01375 2/20 0.35
GPR6 P46095 1/20 0.34
EIF4EBP1 Q13541 5/20 0.34
F11 P03951 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL16756255 0.93 TSHR (0.36) TSHRCCNT1CDK9TNFGPR6
SCHEMBL16756405 0.90 GPR6 (0.36) TSHRCCNT1CDK9GPR6EIF4EBP1
SCHEMBL16756412 0.85 TNF (0.39) CCNT1CDK9TNF
SCHEMBL16756334 0.83 CDK9 (0.36) TSHRCCNT1CDK9GPR6
SCHEMBL16756364 0.81 TNF (0.38) TSHRTNFGPR6EIF4EBP1PTGER1
SCHEMBL16756450 0.81 TNF (0.38) TSHRTNFGPR6EIF4EBP1PTGER1
SCHEMBL16756509 0.74 PPARD (0.36) CDK9TNF
SCHEMBL16756325 0.73 TNF (0.41) TNF
SCHEMBL16756559 0.72 TNF (0.41) TNF
SCHEMBL16756526 0.72 TNF (0.41) TNF

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 TSHR 1696/4885CCNT1 4233/4885CDK9 1687/4885

“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.