SCHEMBL10755191

SCHEMBL10755191

O=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 1.00
▸ LIMK1 P53667 1/20 1.00
▸ CDK5 Q00535 1/20 1.00
▸ CLK4 Q9HAZ1 1/20 1.00
▸ P2RY6 Q15077 1/20 0.66
▸ NPBWR1 P48145 11/20 0.64
▸ RAB9A P51151 9/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ MAPT P10636 7/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ HTT P42858 4/20 0.63
▸ CASP3 P42574 2/20 0.63
▸ SENP8 Q96LD8 2/20 0.63
▸ SENP7 Q9BQF6 2/20 0.63
▸ SENP6 Q9GZR1 2/20 0.63
▸ MMP2 P08253 1/20 0.63
▸ MMP9 P14780 1/20 0.63
▸ MMP8 P22894 1/20 0.63
▸ MMP13 P45452 1/20 0.63
▸ MEN1 O00255 4/20 0.62

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
SCHEMBL2243690 0.90 CHEK1 (0.81) CHEK1LIMK1CDK5CLK4P2RY6
SCHEMBL29545885 0.84 CHEK1 (0.72) CHEK1LIMK1CDK5CLK4P2RY6
SCHEMBL1171437 0.83 NPC1 (0.82) CHEK1LIMK1CDK5CLK4NPBWR1
SCHEMBL20982761 0.79 NPC1 (0.97) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8603371 0.79 ALOX5 (0.73) CHEK1LIMK1CDK5CLK4P2RY6
SCHEMBL31679090 0.78 NPBWR1 (1.00) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2245102 0.78 NPBWR1 (1.00) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5566191 0.77 NPC1 (1.00) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL20982700 0.77 NPC1 (0.94) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL31357765 0.77 RAB9A (1.00) NPBWR1RAB9ANPC1MAPTSMN1; SMN2

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-20180317484-A1 COMPOSITION FOR INHIBITING SYNTHESIS OF MYCOTOXIN WITHOUT AFFECTING THE GROWTH OF THE FUNGI VIT UNIVERSITY (IN) 2018-11-08 — — US claimed
US-20180317484-A1 COMPOSITION FOR INHIBITING SYNTHESIS OF MYCOTOXIN WITHOUT AFFECTING THE GROWTH OF THE FUNGI VIT UNIVERSITY (IN) 2018-11-08 — — US disclosed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 — — US disclosed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 — — 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 (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-20180317484-A1 COMPOSITION FOR INHIBITING SYNTHESIS OF MYCOTOXIN WITHOUT AFFECTING THE GROWTH OF THE FUNGI NAT1, AKR7A2, CYC1 CHEK1 1668/4885LIMK1 4664/4885CDK5 1619/4885

“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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