SCHEMBL16756334

SCHEMBL16756334

CCOC(=O)C1CC=C(c2ncc(-c3ccc4nc(C)n(Cc5cc(Cl)ccc5OC(F)F)c4c3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GPR6 P46095 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ENPP2 Q13822 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCNT1 O60563 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CCR5 P51681 1/20 0.34
PPARG P37231 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 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
SCHEMBL16756405 0.93 GPR6 (0.36) CDK9TSHRL3MBTL1GPR6CCNT1
SCHEMBL16756255 0.90 TSHR (0.36) CDK9TSHRL3MBTL1GPR6ALDH1A1
SCHEMBL16756509 0.85 PPARD (0.36) CDK9PPARGGRIN1GRIN2B
SCHEMBL16756451 0.83 TSHR (0.36) CDK9TSHRGPR6CCNT1
SCHEMBL16756412 0.81 TNF (0.39) CDK9ALDH1A1TDP1CCNT1KMT2A
SCHEMBL16756282 0.76 GPR6 (0.39) CDK9GPR6GRIN1GRIN2B
SCHEMBL16756279 0.76 GPR6 (0.39) CDK9GPR6GRIN1GRIN2B
SCHEMBL16756281 0.76 GPR6 (0.39) CDK9GPR6GRIN1GRIN2B
SCHEMBL16756337 0.76 GPR6 (0.38) CDK9TSHRGPR6PPARGGRIN1
SCHEMBL16756275 0.75 GRIN1 (0.47) GRIN1GRIN2B

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 CDK9 1687/4885TSHR 1696/4885L3MBTL1 1618/4885

“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.