SCHEMBL3211250

SCHEMBL3211250

C[N+](C)(C)CCNC(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.51
MAPK14 Q16539 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL3224811 0.84 CA1 (0.56) HIF1AMAPK14SMN1; SMN2NPC1RAB9A
SCHEMBL13423690 0.81 GRIN1 (0.54) HIF1AMAPK14SMN1; SMN2HPGDPOLB
SCHEMBL13423694 0.81 ADORA2A (0.55) HIF1AMEN1KMT2ACYP2C9CYP2C19
SCHEMBL3224598 0.79 ALDH1A1 (0.51) HIF1AMAPK14SMN1; SMN2RAB9AMEN1
SCHEMBL773275 0.78 KMT2A (0.60) HPGDMEN1KMT2ADRD2DRD4
SCHEMBL13423693 0.78 HIF1A (0.60) HIF1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3205850 0.78 HDAC1 (0.46) HIF1AMAPK14SMN1; SMN2HPGDHTT
SCHEMBL3218355 0.77 MAPK14 (0.74) MAPK14MEN1KMT2ACYP2C9HDAC1
SCHEMBL13423688 0.75 PTAFR (0.67) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15071554 0.75 LMNA (0.61) SMN1; SMN2NPC1RAB9AHPGDPOLB

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
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

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 HIF1A 3157/4885MAPK14 2472/4885SMN1; SMN2 3153/4885

“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.