SCHEMBL8738964

SCHEMBL8738964

CN(c1ccc(NS(C)(=O)=O)cc1)c1c2ccccc2nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 6/20 0.66
▸ KDM1A O60341 3/20 0.62
▸ CYP1A2 P05177 3/20 0.59
▸ CYP2D6 P10635 3/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CASP1 P29466 2/20 0.59
▸ CASP7 P55210 2/20 0.59
▸ KEAP1 Q14145 1/20 0.49
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ TOP2A P11388 2/20 0.47
▸ TOP2B Q02880 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TOP1 P11387 1/20 0.47
▸ DRD2 P14416 1/20 0.47

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
SCHEMBL3114136 0.82 EGFR (0.60) NR3C2KDM1ACYP1A2CYP2D6CYP2C9
SCHEMBL9479877 0.80 NR3C2 (1.00) NR3C2KDM1AKEAP1PTGS2RAB9A
SCHEMBL14519359 0.78 PDE5A (0.54) KDM1ACASP1CASP7TSHRGLA
SCHEMBL8191753 0.78 CYP1A2 (0.62) NR3C2KDM1ACYP1A2CYP2D6CYP2C9
SCHEMBL6115003 0.77 KDM1A (1.00) KDM1ACYP1A2CYP2D6CYP2C9CASP1
SCHEMBL14519361 0.76 KDM1A (0.49) KDM1ACASP1CASP7GLACHRM1
SCHEMBL9481726 0.70 NR3C2 (0.78) NR3C2CYP1A2CYP2D6CYP2C9KEAP1
SCHEMBL10926948 0.69 CA1 (0.68) NR3C2KEAP1TSHRPTGS2HSD17B10
SCHEMBL56693 0.69 KEAP1 (1.00) NR3C2KDM1AKEAP1PTGS2RAB9A
SCHEMBL31237457 0.68 KDM1A (0.78) KDM1ACYP1A2CYP2D6CYP2C9CASP1

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-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 — — US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 — — US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 — — US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 — — 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-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR NR3C2 816/4885KDM1A 3950/4885CYP1A2 4831/4885

“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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