SCHEMBL16219331

SCHEMBL16219331

O=[N+]([O-])c1ccc(-c2cn3c(n2)sc2nc(O)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.46
MBD2 Q9UBB5 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ADORA2A P29274 1/20 0.43
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
STAT3 P40763 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL15079505 0.86 F2RL3 (0.46) F2RL3MBD2CA12CA1CA2
SCHEMBL13394331 0.83 F2RL3 (0.55) F2RL3MBD2CA12CA1CA2
SCHEMBL13394444 0.81 MAPT (0.46) RAB9AMAPTNPC1RXFP1KMT2A
SCHEMBL73435 0.80 FLT3 (0.52) F2RL3MBD2RAB9AMAPTRXFP1
SCHEMBL15079500 0.79 FLT3 (0.48) F2RL3MBD2CA12CA2CA9
SCHEMBL73436 0.78 F2RL3 (0.46) F2RL3MBD2CA12CA1CA2
SCHEMBL28419499 0.78 FLT3 (0.47) F2RL3MBD2RAB9AMAPTRXFP1
SCHEMBL73916 0.77 MBD2 (0.58) F2RL3MBD2CA12CA1CA2
SCHEMBL15079641 0.76 FLT3 (0.49) F2RL3MBD2CA12CA1CA2
SCHEMBL13539252 0.75 LMNA (0.53) F2RL3MBD2RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 US disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 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-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF MAP3K15, MAP3K1, MAP3K5 F2RL3 3291/4885MBD2 4811/4885CA12 3274/4885

“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.