SCHEMBL985801

SCHEMBL985801

COc1ccc([N+](=O)[O-])cc1OCCCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HPGD P15428 3/20 0.61
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 1/20 0.61
LMNA P02545 5/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.50
ALDH1A1 P00352 6/20 0.49
CYP19A1 P11511 1/20 0.49
PTGS2 P35354 1/20 0.49
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DRD4 P21917 1/20 0.47

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
SCHEMBL29897293 1.00 MAPT (0.61) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL5099839 0.94 MAPT (0.65) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL30907664 0.94 MAPT (0.65) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL2086989 0.94 MAPT (0.61) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL9220403 0.91 MAPT (0.52) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL4038925 0.88 MAPT (0.65) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL4045709 0.87 MAPT (0.64) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL7416033 0.86 CYP19A1 (0.59) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL6431028 0.86 MAPT (0.59) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL8240311 0.85 MAPT (0.65) MAPTSMN1; SMN2HPGDNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698389-B N- [2- (2-methoxy-5-nitro-phenoxy) ethyl ] halogenated pyridine and preparation method and application thereof 河南省科学院高新技术研究中心 2022-10-04 CN disclosed
CN-110698389-A N- [2- (2-methoxy-5-nitro-phenoxy) ethyl ] halogenated pyridine and preparation method and application thereof 河南省科学院高新技术研究中心 2020-01-17 CN disclosed
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 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-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 MAPT 4802/4885SMN1; SMN2 2417/4885HPGD 3396/4885

“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.