SCHEMBL3224528

SCHEMBL3224528

O=C(Nc1cccnc1)c1ccc(Cl)c(C#Cc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
CSF1R P07333 5/20 0.57
NAMPT P43490 4/20 0.56
CYP11B2 P19099 4/20 0.56
CYP11B1 P15538 3/20 0.56
GAA P10253 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
RET P07949 1/20 0.52
TP53 P04637 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL5214172 0.80 CSF1R (0.83) NPC1CSF1RNAMPTCYP11B2CYP11B1
SCHEMBL13765874 0.80 CSF1R (0.76) NPC1CSF1RNAMPT
SCHEMBL13455618 0.79 NAMPT (0.67) NPC1CSF1RNAMPTCYP11B2CYP11B1
SCHEMBL14627247 0.77 NPC1 (0.81) NPC1CSF1RNAMPTCYP11B2CYP11B1
SCHEMBL13455669 0.77 NPC1 (0.68) NPC1CSF1RNAMPTCYP11B2CYP11B1
SCHEMBL3203522 0.77 NAMPT (0.72) NPC1CSF1RNAMPTCYP11B2CYP11B1
SCHEMBL3208864 0.76 GRM5 (0.53) MAPT
SCHEMBL5805696 0.76 PTGDR2 (0.40) CSF1RGAAALDH1A1MAPTRET
SCHEMBL13765780 0.75 CSF1R (0.71) NPC1CSF1RNAMPTCYP11B2CYP11B1
SCHEMBL1921254 0.74 TSHR (0.52) NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
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
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 NPC1 2916/4885CSF1R 4319/4885NAMPT 1742/4885

“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.