SCHEMBL6237830

SCHEMBL6237830

Cc1cccc(-c2ccc([N+](=O)[O-])cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TSHR P16473 1/20 0.53
ACHE P22303 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 6/20 0.50
NPC1 O15118 4/20 0.50
NPBWR1 P48145 1/20 0.50
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
KDM1A O60341 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
GFER P55789 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
MAPK14 Q16539 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL6231939 0.86 RAB9A (0.60) RAB9ASMN1; SMN2TSHRACHEALDH1A1
SCHEMBL14988505 0.86 TSHR (0.50) RAB9ASMN1; SMN2TSHRACHEALDH1A1
SCHEMBL14988369 0.83 NPC1 (0.50) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL16835769 0.82 KMT2A (0.44) RAB9ASMN1; SMN2TSHRACHEALDH1A1
SCHEMBL6239437 0.82 KMT2A (0.53) RAB9ASMN1; SMN2ACHEALDH1A1MAPT
SCHEMBL1723569 0.82 MAPT (0.57) RAB9ASMN1; SMN2ACHEALDH1A1MAPT
SCHEMBL27659631 0.82 RAB9A (0.56) RAB9ASMN1; SMN2TSHRACHEALDH1A1
SCHEMBL3135082 0.81 KEAP1 (0.51) RAB9ASMN1; SMN2TSHRACHEALDH1A1
SCHEMBL1337055 0.81 MAPT (0.55) RAB9ASMN1; SMN2HPGDMAPTNPC1
SCHEMBL7035834 0.81 ACHE (0.57) RAB9ASMN1; SMN2ACHEALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 EP disclosed
US-9206129-B2 Agent for treatment of eye diseases DAITO CHEMIX CORPORATION (JP) 2015-12-08 US disclosed
EP-2623494-B1 AGENT FOR TREATMENT OF EYE DISEASES DAITO CHEMIX CORP (JP) 2015-09-02 EP disclosed
US-20140148416-A1 Agent for Treatment of Eye Diseases KYOTO UNIVERSITY (JP) 2014-05-29 US disclosed
EP-2623494-A1 AGENT FOR TREATMENT OF EYE DISEASES Daito Chemix Corporation (JP) 2013-08-07 EP disclosed
US-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 US disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 EP disclosed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 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 (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-20140148416-A1 Agent for Treatment of Eye Diseases PDE6A, ALDH1A2, PDE6D RAB9A 208/4885SMN1; SMN2 1084/4885TSHR 2509/4885
US-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 RAB9A 1989/4885SMN1; SMN2 102/4885TSHR 4474/4885

“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.