SCHEMBL12245197

SCHEMBL12245197

CN(CO)Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LIN28A Q9H9Z2 1/20 0.55
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
KCNA5 P22460 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TRPM8 Q7Z2W7 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
SCHEMBL804182 0.88 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AKDM4E
Hydrochloric Acid SCHEMBL28308406 0.86 TDP1 (0.61) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL6979275 0.85 HSD17B10 (0.57) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL996544 0.84 TDP1 (0.64) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL2323126 0.82 TDP1 (0.57) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL14189537 0.82 CYP1A2 (0.51) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL27450213 0.82 SMN1; SMN2 (0.49) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL12254507 0.82 KMT2A (0.51) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL14067402 0.81 KDM4E (0.60) TDP1KDM4ETSHRNPSR1POLB
SCHEMBL13715829 0.81 SMN1; SMN2 (0.47) TDP1MAPTSMN1; SMN2LIN28AKDM4E

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-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 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 (2 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 TDP1 244/4885MAPT 2670/4885SMN1; SMN2 2699/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 TDP1 169/4885MAPT 3157/4885SMN1; SMN2 3728/4885

“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.