SCHEMBL19768249

SCHEMBL19768249

c1cc(-c2ccc3ccc4ccccc4c3n2)cc(-c2ccc3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc4c3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.40
▸ HPRT1 P00492 4/20 0.39
▸ MAPT P10636 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AR P10275 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP1A1 P04798 2/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34

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
SCHEMBL19768498 0.97 PARP1 (0.41) PARP1HPRT1MAPTL3MBTL1AR
SCHEMBL17231470 0.94 HPRT1 (0.45) PARP1HPRT1MAPTL3MBTL1AR
SCHEMBL20208243 0.90 PARP1 (0.46) PARP1HPRT1MAPTL3MBTL1AR
SCHEMBL17899306 0.89 PARP1 (0.44) PARP1MAPTKDM4EALDH1A1RAB9A
SCHEMBL19768248 0.89 SMN1; SMN2 (0.45) PARP1MAPTARKDM4ENPC1
SCHEMBL21103664 0.88 PARP1 (0.43) PARP1MAPTKDM4EALDH1A1RAB9A
SCHEMBL19768467 0.88 CYP11B1 (0.46) PARP1MAPTARKDM4ENPC1
SCHEMBL26120274 0.87 PARP1 (0.44) PARP1MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL18927130 0.87 CCR1 (0.46) MAPTL3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL19768165 0.86 PARP1 (0.42) PARP1NPC1RAB9ACYP1A1CYP1B1

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 1407/4885HPRT1 69/4885MAPT 1419/4885

“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.

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