SCHEMBL5331883

SCHEMBL5331883

O=C1[C]=[N+]([O-])c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.40
APAF1 O14727 3/20 0.40
PPP1CA P62136 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAOA P21397 3/20 0.39
POLB P06746 2/20 0.39
CES1 P23141 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
TDP2 O95551 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CES2 O00748 1/20 0.39
TERT O14746 1/20 0.39
PLIN1 O60240 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39

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
SCHEMBL2536229 0.65 MAOA (0.39) MEN1KMT2AMAOACES1NPC1
SCHEMBL3244236 0.62 IDO1 (0.41) IDO1APAF1PPP1CAL3MBTL1MEN1
Hydrochloric Acid SCHEMBL28279990 0.61 IDO1 (0.40) IDO1APAF1PPP1CAL3MBTL1MEN1
SCHEMBL2095985 0.59 KMT2A (0.50) IDO1APAF1L3MBTL1MEN1KMT2A
9,10-Phenanthrenequinone SCHEMBL29384320 0.58 MEN1 (1.00) IDO1APAF1L3MBTL1MEN1KMT2A
9,10-Phenanthrenequinone SCHEMBL2157215 0.58 MEN1 (1.00) IDO1APAF1L3MBTL1MEN1KMT2A
Anthraquinone SCHEMBL27722992 0.58 MEN1 (0.92) IDO1APAF1MEN1KMT2AMAOA
9,10-Phenanthrenequinone SCHEMBL43050 0.58 MEN1 (1.00) IDO1APAF1L3MBTL1MEN1KMT2A
9,10-Phenanthrenequinone SCHEMBL31598775 0.58 MEN1 (1.00) IDO1APAF1L3MBTL1MEN1KMT2A
SCHEMBL9302191 0.57 CYP1A2 (0.41) IDO1APAF1PPP1CAL3MBTL1MEN1

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-10023602-B2 Hamamelitannin analogues and uses thereof UNIVERSITEIT GENT (BE) 2018-07-17 US disclosed
EP-3166955-B1 HAMAMELITANNIN ANALOGUES AND USES THEREOF UNIV GENT (BE) 2018-05-02 EP disclosed
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF UNIVERSITEIT GENT (BE) 2017-06-08 US disclosed
JP-2007001911-A OPTICALLY RECORDING MEDIUM AND 2-(3H-INDOL-2-YL)-1,3-DIONE DERIVATIVE MITSUI CHEMICALS INC 2007-01-11 JP 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-10023602-B2 Hamamelitannin analogues and uses thereof PIGS, HAMP, HTT IDO1 1059/4885APAF1 3492/4885PPP1CA 1551/4885
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF PIGS, HAMP, HTT IDO1 1059/4885APAF1 3492/4885PPP1CA 1551/4885

“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.