SCHEMBL17280004

SCHEMBL17280004

COCCn1nc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccccc3)nn2CCOC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 8/20 0.57
NR1H2 P55055 5/20 0.51
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL17280005 0.86 NR1H3 (0.58) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL17280009 0.84 NR1H3 (0.70) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL17280017 0.80 NR1H3 (0.70) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL6582921 0.79 NR1H3 (0.43) NR1H3NR1H2ALDH1A1CASP3NPC1
Hydrochloric Acid SCHEMBL6582636 0.77 NR1H3 (0.47) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL2039451 0.77 PDE10A (0.48) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL2038581 0.76 NR1H3 (0.43) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL14736091 0.75 PDE10A (0.49) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL17279740 0.75 NR1H3 (0.82) NR1H3NR1H2LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL14736355 0.74 PDE10A (0.48) NR1H3NR1H2LMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS NR1H3 766/4885NR1H2 1059/4885LMNA 2915/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 NR1H3 1458/4885NR1H2 1877/4885LMNA 2773/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 NR1H3 787/4885NR1H2 534/4885LMNA 3412/4885

“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.