SCHEMBL5070926

SCHEMBL5070926

NCCC(=O)Nc1nc2ccccc2s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
HDAC1 Q13547 2/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC3 O15379 1/20 0.69
HDAC4 P56524 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
CSNK1D P48730 5/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
ALDH1A1 P00352 4/20 0.66
MAPT P10636 2/20 0.66
ACP1 P24666 1/20 0.66

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
Hydrochloric Acid SCHEMBL25333657 0.88 CSNK1D (0.68) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL4862601 0.87 POLB (0.74) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL19771114 0.87 POLB (0.74) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL6227275 0.84 MAPT (0.73) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL11887784 0.84 POLB (0.84) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL3237055 0.83 HDAC1 (0.70) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL4858014 0.83 CSNK1D (0.69) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL29485043 0.83 DYRK1A (0.69) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL7933388 0.83 HDAC3 (0.71) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL6206186 0.83 RAB9A (0.72) POLBCSNK1DSMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 POLB 4293/4885HDAC1 573/4885HDAC2 590/4885

“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.