SCHEMBL8202803

SCHEMBL8202803

Cc1ccc(NC(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.85
TSHR P16473 1/20 0.77
CNR1 P21554 3/20 0.76
LMNA P02545 1/20 0.76
MAPT P10636 1/20 0.65
POLB P06746 1/20 0.64
EPHX2 P34913 4/20 0.62
RECQL P46063 1/20 0.62
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
PDGFRB P09619 1/20 0.60
FLT1 P17948 1/20 0.60
KDR P35968 1/20 0.60
NAMPT P43490 1/20 0.57

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
SCHEMBL11926730 0.89 SMN1; SMN2 (0.76) SMN1; SMN2TSHRCNR1LMNAMAPT
SCHEMBL13102351 0.87 CNR1 (0.74) SMN1; SMN2TSHRCNR1LMNAMAPT
SCHEMBL30416740 0.87 LMNA (0.73) SMN1; SMN2TSHRCNR1LMNAMAPT
SCHEMBL12808473 0.87 SMN1; SMN2 (0.73) SMN1; SMN2TSHRCNR1LMNAMAPT
SCHEMBL2056328 0.87 CNR1 (0.73) SMN1; SMN2TSHRCNR1LMNAMAPT
SCHEMBL22834260 0.86 SMN1; SMN2 (1.00) SMN1; SMN2CNR1LMNAMAPTEPHX2
SCHEMBL30415729 0.86 LMNA (1.00) SMN1; SMN2TSHRCNR1LMNAMAPT
SCHEMBL25454925 0.86 EPHX2 (0.77) SMN1; SMN2CNR1LMNAMAPTPOLB
SCHEMBL30416642 0.86 SMN1; SMN2 (0.75) SMN1; SMN2TSHRCNR1LMNAMAPT
SCHEMBL2054619 0.86 SMN1; SMN2 (0.71) SMN1; SMN2TSHRCNR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831301-B Benzothiazole derivative and application thereof 沈阳药科大学 2023-06-06 CN claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 WO disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SMN1; SMN2 3609/4885TSHR 4161/4885CNR1 1791/4885

“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.