SCHEMBL19002210

SCHEMBL19002210

CCCNS(=O)(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.76
HTR2B P41595 1/20 0.76
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
TPSAB1 Q15661 1/20 0.55
DPP4 P27487 1/20 0.55
PNMT P11086 4/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL30304230 0.97 HTR2C (0.76) HTR2CHTR2BALDH1A1KDM4ETDP1
SCHEMBL21776394 0.84 ALDH1A1 (0.63) HTR2CHTR2BALDH1A1KDM4ETDP1
SCHEMBL18997080 0.84 ALDH1A1 (0.63) HTR2CHTR2BALDH1A1KDM4ETDP1
SCHEMBL26212927 0.81 ALDH1A1 (0.63) HTR2CHTR2BALDH1A1KDM4ETDP1
SCHEMBL15711293 0.80 HTR2C (0.62) HTR2CHTR2BALDH1A1KDM4ETDP1
SCHEMBL9364845 0.78 PNMT (0.64) HTR2CHTR2BALDH1A1KDM4ETDP1
SCHEMBL29189184 0.78 PNMT (0.60) HTR2CHTR2BALDH1A1PNMTCA12
SCHEMBL12749953 0.76 CA12 (0.56) HTR2CHTR2BALDH1A1KDM4ETDP1
SCHEMBL10154039 0.75 PNMT (0.64) HTR2CHTR2BALDH1A1KDM4ETDP1
SCHEMBL17049845 0.74 KMT2A (0.65) HTR2CHTR2BALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 HTR2C 4575/4885HTR2B 4525/4885ALDH1A1 2765/4885

“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.