SCHEMBL20129861

SCHEMBL20129861

Nc1ccc(NCc2ccccc2)c(F)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ NCOR1 O75376 2/20 0.43
▸ KCNQ3 O43525 3/20 0.43
▸ KCNQ2 O43526 3/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ MEN1 O00255 2/20 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
SCHEMBL17749207 0.86 KCNQ3 (0.56) HSD17B10HDAC3NCOR1KCNQ3KCNQ2
SCHEMBL20129860 0.83 KCNQ3 (0.47) BACE1HSD17B10IDO1KCNQ3KCNQ2
SCHEMBL20129875 0.83 KCNQ2 (0.50) HSD17B10KCNQ3KCNQ2CA12CA1
SCHEMBL20129870 0.82 KCNQ3 (0.43) HSD17B10IDO1KCNQ3KCNQ2SMN1; SMN2
SCHEMBL20133976 0.82 KCNQ3 (0.36) BACE1HDAC3NCOR1KCNQ3KCNQ2
SCHEMBL17749144 0.81 KCNQ2 (0.60) HDAC3KCNQ3KCNQ2KDM4EHDAC1
SCHEMBL23711052 0.79 KCNQ3 (0.34) BACE1HDAC3NCOR1KCNQ3KCNQ2
SCHEMBL29721496 0.79 APP (0.48) IDO1HDAC3KCNQ3KCNQ2HDAC1
SCHEMBL17749119 0.79 KCNQ3 (0.34) BACE1HDAC3NCOR1KCNQ3KCNQ2
SCHEMBL20129864 0.79 APP (0.48) IDO1HDAC3KCNQ3KCNQ2HDAC1

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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 — — US disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 — — 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 BACE1 3768/4885HSD17B10 509/4885IDO1 2185/4885

“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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