SCHEMBL3821087

SCHEMBL3821087

Cc1nc(C(=O)N2CCCCC2)oc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.40
ALDH1A1 P00352 8/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
ADORA2A P29274 2/20 0.39
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 5/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL3821090 0.78 DPP4 (0.42) HPGDALDH1A1TSHRHTTRECQL
SCHEMBL3822923 0.69 ALDH1A1 (0.41) HPGDALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL22629095 0.68 RAB9A (0.44) HPGDALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL3822759 0.68 ALDH1A1 (0.46) HPGDALDH1A1TSHRHTTL3MBTL1
SCHEMBL20855357 0.68 POLB (0.37) HPGDALDH1A1TSHRHTTKDM4E
SCHEMBL114334 0.67 MAPT (0.44) HPGDALDH1A1TSHRHTTRECQL
SCHEMBL3589407 0.67 ALDH1A1 (0.54) HPGDALDH1A1TSHRLMNAL3MBTL1
SCHEMBL3828944 0.66 ADCY1 (0.37) HPGDALDH1A1TSHRHTTRAB9A
SCHEMBL9205868 0.66 KMT2A (0.46) HPGDALDH1A1TSHRHTTRECQL
SCHEMBL15219434 0.65 CA12 (0.50) HPGDALDH1A1TSHRHTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
EP-2086948-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2009-08-12 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
WO-2008035315-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 WO 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 HPGD 675/4885ALDH1A1 775/4885TSHR 3602/4885

“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.