SCHEMBL18624563

SCHEMBL18624563

O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.59
▸ ALDH1A1 P00352 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GUSB P08236 1/20 0.52
▸ F2 P00734 1/20 0.52
▸ C1R P00736 1/20 0.52
▸ ABCB1 P08183 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ GBA1 P04062 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ USP1 O94782 1/20 0.47
▸ WDR48 Q8TAF3 1/20 0.47
▸ PDE5A O76074 1/20 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
SCHEMBL18624564 0.81 KMT2A (0.53) ABCG2ALDH1A1TDP1MEN1KMT2A
SCHEMBL8818345 0.81 ALDH1A1 (0.51) ABCG2ALDH1A1TDP1MEN1KMT2A
SCHEMBL18347051 0.79 ALDH1A1 (0.57) ABCG2ALDH1A1TDP1MEN1KMT2A
SCHEMBL27963586 0.78 NPSR1 (0.65) ABCG2MEN1KMT2AMAPTGUSB
SCHEMBL9920517 0.76 MEN1 (0.62) ABCG2TDP1MEN1KMT2AATM
SCHEMBL13911022 0.76 MEN1 (0.62) ABCG2TDP1MEN1KMT2AATM
SCHEMBL27844725 0.76 ALDH1A1 (0.59) ABCG2ALDH1A1TDP1MEN1KMT2A
Lithium Ion SCHEMBL18171538 0.76 MEN1 (0.54) ABCG2TDP1MEN1KMT2AATM
SCHEMBL18419180 0.76 ALDH1A1 (0.66) ABCG2ALDH1A1TDP1MEN1KMT2A
SCHEMBL940113 0.75 CYP1A2 (0.62) ABCG2ALDH1A1TDP1MEN1KMT2A

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-20170077416-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE COMPRISING SAME, AND DISPLAY SAMSUNG SDI CO., LTD. (KR) 2017-03-16 — — US disclosed
US-20170077416-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE COMPRISING SAME, AND DISPLAY SAMSUNG SDI CO., LTD. (KR) 2017-03-16 — — 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-20170077416-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE COMPRISING SAME, AND DISPLAY OR10J3, OR51E2, ODC1 ABCG2 3805/4885ALDH1A1 28/4885TDP1 3140/4885

“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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