SCHEMBL16756405

SCHEMBL16756405

Cc1nc2ccc(-c3cnc(C4=CCC(C(=O)O)CC4)nc3)cc2n1Cc1cc(Cl)ccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.36
CDK9 P50750 3/20 0.35
TSHR P16473 1/20 0.35
CCNT1 O60563 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
ALOX5AP P20292 1/20 0.34
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
F11 P03951 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN11 Q06124 1/20 0.33
PDE4B Q07343 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VDR P11473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
EIF4EBP1 Q13541 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
SCHEMBL16756334 0.93 CDK9 (0.36) GPR6CDK9TSHRCCNT1GRIN1
SCHEMBL16756451 0.90 TSHR (0.36) GPR6CDK9TSHRCCNT1F11
SCHEMBL16756509 0.84 PPARD (0.36) CDK9SPHK1GRIN1GRIN2BPPARG
SCHEMBL16756255 0.83 TSHR (0.36) GPR6CDK9TSHRCCNT1LMNA
SCHEMBL16756282 0.80 GPR6 (0.39) GPR6CDK9SPHK1ALOX5APGRIN1
SCHEMBL16756279 0.80 GPR6 (0.39) GPR6CDK9SPHK1ALOX5APGRIN1
SCHEMBL16756281 0.80 GPR6 (0.39) GPR6CDK9SPHK1ALOX5APGRIN1
SCHEMBL16756337 0.78 GPR6 (0.38) GPR6CDK9TSHRSPHK1GRIN1
SCHEMBL16756275 0.76 GRIN1 (0.47) GRIN1GRIN2B
Hydrochloric Acid SCHEMBL16756470 0.76 GPR6 (0.37) GPR6CDK9SPHK1GRIN1GRIN2B

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 GPR6 2472/4885CDK9 1687/4885TSHR 1696/4885

“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.