SCHEMBL19767993

SCHEMBL19767993

c1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc5c4n3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
LDHA P00338 1/20 0.41
HPGDS O60760 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
DHODH Q02127 3/20 0.39
BAZ2B Q9UIF8 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MTOR P42345 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL26120274 0.91 PARP1 (0.44) PARP1DHODHRAB9A
SCHEMBL20250429 0.88 PARP1 (0.42) PARP1DHODHRAB9A
SCHEMBL19768117 0.87 NPC1 (0.49) PARP1HPGDSDHODHNPC1RAB9A
SCHEMBL18904445 0.87 CCR1 (0.43) CYP11B1MTORNPC1
SCHEMBL17899306 0.86 PARP1 (0.44) PARP1DHODHRAB9A
SCHEMBL17899301 0.86 PARP1 (0.43) PARP1DHODHRAB9A
SCHEMBL20250416 0.86 PARP1 (0.43) PARP1DHODHRAB9A
SCHEMBL21103664 0.85 PARP1 (0.43) PARP1DHODHCYP11B1CYP11B2RAB9A
SCHEMBL19768170 0.85 MEN1 (0.47) PARP1RAB9A
SCHEMBL19767982 0.84 CYP11B1 (0.50) DHODHCYP11B1CYP11B2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 US disclosed
US-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT SUN2, PAH, FARS2 PARP1 1407/4885LDHA 150/4885HPGDS 2266/4885

“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.