SCHEMBL13801129

SCHEMBL13801129

c1ccc2nc(-c3nc4sc(-c5ccc6ccccc6n5)nc4s3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.50
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 3/20 0.48
AR P10275 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
PKM P14618 4/20 0.46
HPGD P15428 4/20 0.46

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
SCHEMBL31058424 1.00 RAB9A (0.56) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL30429916 0.82 RAB9A (0.58) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL2245316 0.82 RAB9A (0.58) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL170196 0.78 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL29374931 0.78 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL34463709 0.75 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL31490600 0.75 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL31243061 0.75 ALDH1A1 (0.63) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL30883993 0.75 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL10866984 0.75 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
EP-3902021-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH Toyo Ink SC Holdings Co., Ltd. (JP) 2021-10-27 EP disclosed
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 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 (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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, ELAVL1, ELF3 RAB9A 2849/4885NPC1 2208/4885KDM4E 1648/4885

“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.