SCHEMBL208698

SCHEMBL208698

CN(C(=O)CN1CCN(c2c(Br)cnc(N)c2[N+](=O)[O-])CC1)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC27A1 Q6PCB7 1/20 0.34
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
AURKB Q96GD4 1/20 0.31
AURKC Q9UQB9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MDM2 Q00987 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL208675 0.80 AURKA (0.61) AURKALMNASMN1; SMN2KMT2A
SCHEMBL211301 0.80 ALOX15 (0.37) AURKALMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL208825 0.75 MAPT (0.45) LMNASMN1; SMN2CYP2D6KDM4EPOLB
SCHEMBL209190 0.75 ALDH1A1 (0.44) AURKASMN1; SMN2NPC1KDM4EKMT2A
SCHEMBL208346 0.73 AURKA (0.42) AURKALMNASMN1; SMN2NPC1POLB
SCHEMBL208458 0.72 DRD4 (0.48) AURKASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL209133 0.72 THRB (0.50) AURKALMNASMN1; SMN2KMT2A
SCHEMBL209374 0.71 ABL1 (0.39) LMNASMN1; SMN2NPC1POLBKMT2A
SCHEMBL209373 0.71 ABL1 (0.39) LMNASMN1; SMN2NPC1POLBKMT2A
SCHEMBL208977 0.71 DRD2 (0.55) AURKALMNASMN1; SMN2RAB9APOLB

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
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA AURKA 3/4885LMNA 2674/4885SMN1; SMN2 3132/4885

“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.