SCHEMBL14199604

SCHEMBL14199604

CC1CCCN(CC(O)Cn2ccnc2[N+](=O)[O-])C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP2 P42575 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40
CCR10 P46092 2/20 0.39
SLC6A9 P48067 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACKR3 P25106 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL14199602 0.87 KMT2A (0.57) KMT2AKDM4ECYP2D6CCR10CYP2C19
SCHEMBL14160600 0.86 KMT2A (0.68) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL14199615 0.85 KMT2A (0.55) KMT2AKDM4ECYP2D6MEN1CASP2
SCHEMBL11352268 0.85 KMT2A (0.64) KMT2AHSD17B10CYP2D6MEN1CYP2C19
SCHEMBL14199611 0.84 KMT2A (0.54) KMT2AKDM4ECYP2D6MEN1CCR10
Hydrochloric Acid SCHEMBL11376105 0.84 KMT2A (0.63) KMT2AHSD17B10CYP2D6MEN1CYP2C19
Pimonidazole SCHEMBL51977 0.84 KMT2A (0.63) KMT2AHSD17B10CYP2D6MEN1CYP2C19
SCHEMBL11350118 0.83 KMT2A (0.60) KMT2AKDM4ECYP2D6MEN1CCR10
Pimonidazole SCHEMBL11390660 0.83 KMT2A (0.62) KMT2AHSD17B10CYP2D6MEN1CYP2C19
SCHEMBL8895819 0.82 KMT2A (0.67) KMT2AHSD17B10CYP2D6MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056136-B2 Weakly basic 2-nitroimidazoles for the non-invasive detection of tissue hypoxia NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2015-06-16 US disclosed
US-20080085237-A1 Weakly basic 2-nitroimidazoles for the non-invasive detection of tissue hypoxia NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-04-10 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-20080085237-A1 Weakly basic 2-nitroimidazoles for the non-invasive detection of tissue hypoxia HIF1A, HIF1AN, NME4 KMT2A 506/4885KDM4E 615/4885HSD17B10 4000/4885

“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.