SCHEMBL17817428

SCHEMBL17817428

COc1cc2[nH]c3ccc([N+](=O)[O-])cc3c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KDM4E B2RXH2 3/20 0.58
ATM Q13315 1/20 0.58
CTSV O60911 2/20 0.58
CTSL P07711 2/20 0.58
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
KIF11 P52732 1/20 0.51
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA2 P47869 1/20 0.50
PARP1 P09874 1/20 0.49

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
SCHEMBL29540314 0.80 GABRA1 (0.70) MAPTCTSVCTSLALDH1A1MEN1
SCHEMBL155013 0.80 GABRA1 (0.70) MAPTCTSVCTSLALDH1A1MEN1
SCHEMBL1181214 0.80 CTSV (0.86) MAPTKDM4ECTSVCTSLALDH1A1
SCHEMBL29256543 0.77 KDM4E (0.71) MAPTKDM4EATMALDH1A1MEN1
SCHEMBL12722533 0.77 MAPT (0.59) MAPTKDM4ECTSVCTSLALDH1A1
SCHEMBL31254142 0.77 CTSV (0.60) MAPTCTSVCTSLALDH1A1MEN1
Glycozolidine SCHEMBL15203441 0.76 KDM4E (0.70) MAPTKDM4EATMALDH1A1MEN1
Glycozolidine SCHEMBL30071363 0.76 KDM4E (0.70) MAPTKDM4EATMALDH1A1MEN1
SCHEMBL187136 0.75 TDP1 (0.66) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL265440 0.75 HTT (0.68) MAPTALDH1A1MEN1KMT2ALMNA

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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 MAPT 4762/4885KDM4E 812/4885ATM 4490/4885

“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.