SCHEMBL21392080

SCHEMBL21392080

O=C(O)NCc1c[nH]c2c(-c3ccccc3)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
SCN9A Q15858 1/20 0.46
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
GOT1 P17174 1/20 0.44
CNR2 P34972 2/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL23360640 0.81 HTR2A (0.55) MTNR1AMTNR1BCNR2HTTSMN1; SMN2
SCHEMBL21396115 0.79 S1PR1 (0.57) SCN9AMTNR1AMTNR1BHTTSMN1; SMN2
SCHEMBL21392026 0.78 GOT1 (0.46) CHRNB2CHRNA4MTNR1AMTNR1BGOT1
SCHEMBL20816071 0.76 KMT2A (0.63) SCN9ASMN1; SMN2TSHRCYP2C19
SCHEMBL18029111 0.76 KMT2A (0.63) SCN9ASMN1; SMN2TSHRCYP2C19
SCHEMBL18028984 0.76 KMT2A (0.63) SCN9ASMN1; SMN2TSHRCYP2C19
SCHEMBL5883325 0.75 KMT2A (0.55) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL23649384 0.75 KMT2A (0.61) SCN9ASMN1; SMN2TSHRCYP2C19
Hydrochloric Acid SCHEMBL23649387 0.75 KMT2A (0.61) SCN9ASMN1; SMN2TSHRCYP2C19
SCHEMBL23656516 0.75 SCN9A (0.55) SCN9ACNR2SMN1; SMN2TSHRCYP2C19

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-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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 (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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 CHRNB2 1696/4885CHRNA4 2791/4885SCN9A 2976/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 CHRNB2 1696/4885CHRNA4 2791/4885SCN9A 2976/4885

“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.