SCHEMBL2776809

SCHEMBL2776809

CCOc1ccc([N+](=O)[O-])c(NC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 8/20 0.55
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
MAPK1 P28482 3/20 0.55
POLB P06746 2/20 0.55
PKM P14618 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 4/20 0.54
GALR2 O43603 1/20 0.53
MITF O75030 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53

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
SCHEMBL11295618 0.89 MAPT (0.68) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL1511316 0.84 SMN1; SMN2 (0.66) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL5557165 0.83 SMN1; SMN2 (0.56) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL27685482 0.83 SMN1; SMN2 (0.51) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL471095 0.82 MAPT (0.63) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7402604 0.81 MAPT (0.66) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL11439488 0.80 SMN1; SMN2 (0.52) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL11013231 0.80 MEN1 (0.51) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL11406573 0.79 KMT2A (0.59) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL6169182 0.78 KMT2A (0.81) MAPTLMNAALDH1A1SMN1; SMN2RAB9A

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-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 US disclosed
EP-0010231-B1 POLYPHOSPHAZENE POLYMERS CONTAINING N-SUBSTITUTED AMIDO AND IMIDO SUBSTITUENTS AND PROCESS FOR THEIR PREPARATION THE FIRESTONE TIRE & RUBBER COMPANY (US) 1982-12-15 EP disclosed
US-4218557-A PROTECTIVE COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-08-19 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-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 MAPT 4576/4885LMNA 4039/4885ALDH1A1 1013/4885

“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.