SCHEMBL21057417

SCHEMBL21057417

Oc1ncnc2c(C3CCCCC3)onc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.33
S1PR3 Q99500 2/20 0.31
TDO2 P48775 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21138780 0.81 ADORA2A (0.41) TDO2ALDH1A1TP53MAPK1
SCHEMBL19917175 0.61 PDE5A (0.35) KMOTDO2NPC1ALDH1A1TP53
SCHEMBL19917015 0.60 FFAR2 (0.39) TDO2
SCHEMBL17603703 0.60 NPC1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL6467183 0.58 ADORA2A (0.68) ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL2795381 0.58 USP7 (0.33)
SCHEMBL6467180 0.57 ADORA1 (0.44) NPC1RAB9A
SCHEMBL19900171 0.57 NR1H4 (0.34)
SCHEMBL31526106 0.57 RET (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20031502 0.56 SMURF1 (0.37) TDO2NPC1RAB9A

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A KMO 3244/4885S1PR3 4301/4885TDO2 3898/4885

“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.