SCHEMBL10315396

SCHEMBL10315396

CC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6nnc(-c7ccccc7)o6)cc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.38
RAB9A P51151 12/20 0.38
SMN1; SMN2 Q16637 8/20 0.38
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 8/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ATR Q13535 3/20 0.35

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
SCHEMBL10315167 0.99 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10315387 0.97 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10315155 0.97 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10315128 0.94 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10315150 0.93 RAB9A (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10315375 0.93 RAB9A (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6726143 0.90 TDP1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12146603 0.90 TDP1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL14466395 0.90 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12146618 0.89 TDP1 (0.42) ALDH1A1KDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216696-B2 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-10 US disclosed
US-8216696-B2 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-10 US disclosed
US-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-18 US disclosed
US-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-18 US disclosed
EP-2067778-A1 Quinoxaline derivative, and light emitting element, licht emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-06-10 EP 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-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SLC1A2, SLC18A2, SLC18A3 NPC1 3369/4885RAB9A 979/4885SMN1; SMN2 4124/4885

“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.