SCHEMBL3207976

SCHEMBL3207976

O=C(NCCc1c[nH]cn1)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SPR P35270 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 6/20 0.38
MTNR1B P49286 3/20 0.37

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
SCHEMBL2822143 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDPOLB
SCHEMBL8057395 0.79 PRCP (0.48) KDM4E
SCHEMBL3208254 0.79 PRCP (0.48) KDM4E
SCHEMBL19051493 0.78 PRCP (0.44) KDM4EHSD17B10
SCHEMBL3207984 0.76 GNAI3 (0.41) GNAI3GNAO1GNAI1
SCHEMBL22293911 0.76 P2RX7 (0.45) ALDH1A1SMN1; SMN2POLB
SCHEMBL21820172 0.76 CNR1 (0.36) ALDH1A1SMN1; SMN2TSHRMTNR1AMTNR1B
SCHEMBL17473831 0.76 MMP9 (0.35) ALDH1A1SMN1; SMN2KDM4EMTNR1A
SCHEMBL18381195 0.75 SMN1; SMN2 (0.41) PARP1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL2821381 0.75 SMN1; SMN2 (0.41) PARP1ALDH1A1SMN1; SMN2KDM4EHPGD

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B GNAI3 2049/4885GNAO1 3564/4885GNAI1 1676/4885

“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.