SCHEMBL5456246

SCHEMBL5456246

N=C(N)NNC(=O)c1ccccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.71
▸ CA9 Q16790 3/20 0.71
▸ L1CAM P32004 1/20 0.57
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ HTT P42858 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ F2 P00734 1/20 0.55
▸ F10 P00742 1/20 0.55
▸ PLG P00747 1/20 0.55
▸ PLAU P00749 1/20 0.55
▸ PLAT P00750 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ MPO P05164 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ HPGD P15428 2/20 0.53

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
SCHEMBL6636585 0.86 CA1 (0.79) CA1CA9L1CAMNPC1RAB9A
SCHEMBL77381 0.86 CA1 (0.77) CA1CA9L1CAMNPC1RAB9A
SCHEMBL23875051 0.83 CA1 (0.58) CA1CA9L1CAMNPC1RAB9A
SCHEMBL28850791 0.83 CA1 (1.00) CA1CA9L1CAMNPC1RAB9A
SCHEMBL15661146 0.80 POLB (0.58) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8731612 0.80 POLB (0.75) RAB9AKDM4EHTTALDH1A1GAA
SCHEMBL8727218 0.79 MMP3 (0.61) NPC1RAB9AKDM4EHTTALDH1A1
SCHEMBL11302719 0.77 CA1 (0.56) CA1CA9L1CAMNPC1RAB9A
SCHEMBL4218154 0.77 CA1 (0.65) CA1CA9L1CAMNPC1RAB9A
SCHEMBL1169719 0.77 CA1 (0.65) CA1CA9L1CAMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302940-A Use of lubricants with carboxylic acid esters in electric vehicles 巴斯夫欧洲公司 2022-04-08 — — CN disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 — — US disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 — — US disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 — — US disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 — — 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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 CA1 1944/4885CA9 3599/4885L1CAM 219/4885

“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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