SCHEMBL4881571

SCHEMBL4881571

c1ccc(-c2cnc(-c3cccnc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
ALDH1A1 P00352 7/20 1.00
NPC1 O15118 7/20 1.00
KDM4E B2RXH2 5/20 1.00
HPGD P15428 5/20 1.00
HSD17B10 Q99714 5/20 1.00
SMN1; SMN2 Q16637 4/20 0.70
ALOX15 P16050 1/20 0.70
TSHR P16473 1/20 0.70
CASP1 P29466 1/20 0.70
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MITF O75030 1/20 0.60
ATM Q13315 1/20 0.54
TP53 P04637 4/20 0.53
GAA P10253 3/20 0.53
CYP1A2 P05177 2/20 0.53
F2 P00734 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 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
SCHEMBL4882549 0.93 RAB9A (0.87) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL3194240 0.87 RAB9A (0.77) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL6756761 0.87 RAB9A (0.77) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL74359 0.85 ALOX15 (0.96) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL7695763 0.84 ALOX15 (0.79) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL3025349 0.84 ALOX15 (0.79) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL4871472 0.83 KDM4E (1.00) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL10726923 0.83 ALOX15 (1.00) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL75219 0.83 ALOX15 (1.00) RAB9AALDH1A1NPC1KDM4EHPGD
Hydrochloric Acid SCHEMBL10983354 0.82 ALOX15 (0.76) RAB9AALDH1A1NPC1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
EP-2197979-B1 NOVEL COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL IND INC (KR) 2016-12-07 EP disclosed
US-8383932-B2 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2013-02-26 US disclosed
US-8383932-B2 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2013-02-26 US disclosed
US-20100200054-A1 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2010-08-12 US disclosed
US-20100200054-A1 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2010-08-12 US disclosed
WO-2009051454-A2 NOVEL COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES INC. (KR) 2009-04-23 WO disclosed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO disclosed
US-4506368-A PHOTOSTABILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1985-03-19 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 (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-20100200054-A1 Compound for organic photoelectric device and organic photoelectric device including the same PPOX, PIEZO1, AOX1 RAB9A 2341/4885ALDH1A1 151/4885NPC1 3837/4885
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK RAB9A 3960/4885ALDH1A1 404/4885NPC1 2981/4885

“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.