SCHEMBL6648202

SCHEMBL6648202

O=c1[nH]c(C2CCNCC2)cc2c(O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
PARP1 P09874 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
PARP15 Q460N3 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PLG P00747 1/20 0.40
QDPR P09417 1/20 0.40
TNKS O95271 2/20 0.39
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.38
KCNH2 Q12809 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
SCHEMBL3442265 0.83 TNKS (0.46) PARP1MAPTTHRBPLGTNKS
SCHEMBL6647233 0.83 HTR1A (0.43) MAPTTHRBPLGTNKSHTR2C
SCHEMBL6647492 0.82 TNKS (0.47) KDM4ECYP1A2PARP1CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL3442524 0.82 HTR2C (0.47) PARP1MAPTTHRBPLGTNKS
Hydrochloric Acid SCHEMBL6649589 0.81 TNKS (0.46) CYP1A2PARP1CYP2C9CYP3A4QDPR
SCHEMBL6645471 0.80 TNKS (0.52) TNKSHTR2CCDK9CCNT1CASP3
Bromide SCHEMBL6643622 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTTHRB
Hydrochloric Acid SCHEMBL3442229 0.77 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDRAB9A
SCHEMBL3443155 0.75 PARP14 (0.44) PARP1TNKSHTR2C
Hydrochloric Acid SCHEMBL3443035 0.74 PARP14 (0.43) PARP1TNKSHTR2C

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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 KDM4E 2586/4885CYP1A2 1129/4885PARP1 2/4885

“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.