SCHEMBL14693849

SCHEMBL14693849

O=C(Nc1ccc(Cl)nc1Cl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.55
▸ KDR P35968 1/20 0.53
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MMP13 P45452 1/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ POLB P06746 3/20 0.48
▸ ACHE P22303 1/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MITF O75030 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL14693792 0.84 KMT2A (0.62) NPC1KDRMAPTALDH1A1MEN1
SCHEMBL25489494 0.83 NPC1 (0.49) NPC1KDRMAPTALDH1A1MMP13
SCHEMBL14693909 0.82 RAB9A (0.60) NPC1KDRMEN1KMT2APOLB
SCHEMBL29030365 0.81 ABCG2 (0.49) NPC1KDRMAPTALDH1A1MMP13
SCHEMBL14693774 0.80 KCNQ3 (0.57) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL14693827 0.80 RAB9A (0.56) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL14693921 0.80 MAPT (0.56) NPC1MAPTMEN1KMT2APOLB
SCHEMBL6965899 0.80 NPC1 (0.70) NPC1KDRMAPTALDH1A1MEN1
SCHEMBL12750400 0.79 KCNQ3 (0.54) NPC1KDRMAPTALDH1A1MEN1
SCHEMBL11469609 0.77 MAPT (0.65) NPC1KDRMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560008-B1 Pharmaceutical compositions for preventing or treating degenerative brain disease and method of screening the same KOREA INST SCI & TECH (KR) 2016-11-30 — — EP disclosed
EP-2560008-B1 Pharmaceutical compositions for preventing or treating degenerative brain disease and method of screening the same KOREA INST SCI & TECH (KR) 2016-11-30 — — EP disclosed
US-9469653-B2 Pharmaceutical compositions for preventing or treating degenerative brain disease and method of screening the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-10-18 — — US disclosed
US-9469653-B2 Pharmaceutical compositions for preventing or treating degenerative brain disease and method of screening the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-10-18 — — US disclosed
US-20140142089-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING DEGENERATIVE BRAIN DISEASE AND METHOD OF SCREENING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-05-22 — — US disclosed
US-20140142089-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING DEGENERATIVE BRAIN DISEASE AND METHOD OF SCREENING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-05-22 — — US disclosed
US-20130046093-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING DEGENERATIVE BRAIN DISEASE AND METHOD OF SCREENING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-21 — — US disclosed
US-20130046093-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING DEGENERATIVE BRAIN DISEASE AND METHOD OF SCREENING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-21 — — US disclosed
EP-2560008-A2 Pharmaceutical compositions for preventing or treating degenerative brain disease and method of screening the same Korea Institute of Science and Technology (KR) 2013-02-20 — — EP disclosed
EP-2560008-A2 Pharmaceutical compositions for preventing or treating degenerative brain disease and method of screening the same Korea Institute of Science and Technology (KR) 2013-02-20 — — 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 (2 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-20140142089-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING DEGENERATIVE BRAIN DISEASE AND METHOD OF SCREENING THE SAME PSEN2, PSEN1, GRN NPC1 112/4885KDR 4630/4885MAPT 19/4885
US-20130046093-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING DEGENERATIVE BRAIN DISEASE AND METHOD OF SCREENING THE SAME PSEN2, PSEN1, GRN NPC1 112/4885KDR 4630/4885MAPT 19/4885

“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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