SCHEMBL12355299

SCHEMBL12355299

N#Cc1ccc(/[N+]([O-])=C\c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PD P11413 3/20 0.61
MAPT P10636 9/20 0.51
ALDH1A1 P00352 8/20 0.51
TSHR P16473 2/20 0.51
ALOX15 P16050 2/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
FBP1 P09467 4/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 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
SCHEMBL2240554 1.00 G6PD (0.61) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL28522622 0.93 ALDH1A1 (0.61) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL28605332 0.93 ALDH1A1 (0.61) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL11405230 0.83 MAPT (0.63) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL8043742 0.83 FBP1 (0.44) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL8039810 0.83 CA12 (0.53) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL264278 0.80 ALDH1A1 (0.73) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL12349218 0.80 ALDH1A1 (0.73) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL264277 0.80 ALDH1A1 (0.73) G6PDMAPTALDH1A1TSHRALOX15
SCHEMBL506585 0.79 RAB9A (0.58) G6PDMAPTALDH1A1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201661-A1 Spiro Derivatives of Parthenin as Novel Anticancer Agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-08-18 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-20110201661-A1 Spiro Derivatives of Parthenin as Novel Anticancer Agents CDK10, NEK10, AKR1B10 G6PD 3468/4885MAPT 4489/4885ALDH1A1 1855/4885

“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.