SCHEMBL16098593

SCHEMBL16098593

CC(=O)c1cccc(-c2c(F)cccc2[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
ABCB1 P08183 3/20 0.50
ABCC1 P33527 2/20 0.50
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
CREBBP Q92793 1/20 0.44
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
MAPT P10636 5/20 0.42
FBP1 P09467 2/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL16093740 0.82 TSHR (0.52) ALDH1A1ABCB1ABCC1BRD4BRD2
SCHEMBL6312572 0.82 ABCB1 (0.60) ALDH1A1ABCB1ABCC1MAPTLMNA
SCHEMBL16120026 0.81 ALDH1A1 (0.49) ALDH1A1ABCB1ABCC1BRD4BRD2
SCHEMBL16093623 0.79 ABCB1 (0.49) ALDH1A1ABCB1ABCC1MAPTAKR1C3
SCHEMBL16120144 0.78 ALDH1A1 (0.51) ALDH1A1ABCB1ABCC1BRD4BRD2
SCHEMBL28048984 0.77 TDP1 (0.53) ALDH1A1MAPTFBP1MEN1KMT2A
SCHEMBL16120145 0.77 ALDH1A1 (0.50) ALDH1A1ABCB1ABCC1MAPTFBP1
SCHEMBL16120142 0.77 ALDH1A1 (0.50) ALDH1A1ABCB1ABCC1MAPTFBP1
SCHEMBL2498033 0.76 ALDH3A1 (0.44) ALDH1A1MAPTFBP1MEN1KMT2A
SCHEMBL16119989 0.75 ALDH1A1 (0.51) ALDH1A1ABCB1ABCC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT ALDH1A1 371/4885ABCB1 1848/4885ABCC1 3822/4885

“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.