SCHEMBL3203522

SCHEMBL3203522

O=C(Nc1cccnc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.72
NPC1 O15118 3/20 0.72
GAA P10253 2/20 0.72
RAB9A P51151 2/20 0.72
LMNA P02545 1/20 0.72
ABL1 P00519 1/20 0.61
CSF1R P07333 4/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
CYP11B2 P19099 3/20 0.59
CYP11B1 P15538 2/20 0.59
SIRT2 Q8IXJ6 1/20 0.58
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL13455618 0.98 NAMPT (0.67) NAMPTNPC1GAARAB9ALMNA
SCHEMBL3217000 0.90 NAMPT (0.59) NAMPTNPC1GAARAB9ALMNA
SCHEMBL14627248 0.89 NAMPT (0.68) NAMPTNPC1GAARAB9ALMNA
SCHEMBL3208598 0.86 POLB (0.70) NAMPTNPC1GAARAB9ALMNA
SCHEMBL774990 0.84 KCNQ3 (0.59) NAMPTNPC1GAARAB9ALMNA
SCHEMBL774842 0.83 KMT2A (0.60) NAMPTNPC1GAARAB9ALMNA
SCHEMBL774698 0.83 KCNQ3 (0.77)
SCHEMBL5214172 0.82 CSF1R (0.83) NAMPTNPC1RAB9ALMNACSF1R
SCHEMBL774620 0.81 KCNQ3 (0.59) LMNAABL1KDM4EMAPT
SCHEMBL775233 0.81 ROCK2 (0.65) NAMPTNPC1RAB9ALMNAABL1

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 7 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-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
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B NAMPT 1742/4885NPC1 2916/4885GAA 704/4885

“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.