SCHEMBL19625792

SCHEMBL19625792

CC(=O)c1cnc(C)c(OCc2ccccc2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAOB P27338 3/20 0.51
KCNA2 P16389 1/20 0.46
KCNA5 P22460 1/20 0.46
KCNA1 Q09470 1/20 0.46
PTPN1 P18031 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL79942 0.86 HPGD (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL19625791 0.84 PTPN1 (0.52) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL10247058 0.81 PTPN1 (0.47) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27389748 0.80 L3MBTL1 (0.66) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL82592 0.78 THRB (0.43) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL16441037 0.78 KCNA2 (0.49) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL21668583 0.77 MAPT (0.74) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL19755568 0.77 LMNA (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL81427 0.76 HPGD (0.49) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL24162183 0.75 MAPT (0.67) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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-20180148412-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2018-05-31 US disclosed
US-9963430-B2 Process for the preparation of intermediate of dolutegravir HETERO RESEARCH FOUNDATION (IN) 2018-05-08 US disclosed
US-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2017-11-23 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-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD MAPT 3690/4885CYP2C9 7/4885CYP2C19 4/4885
US-20180148412-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD MAPT 3690/4885CYP2C9 7/4885CYP2C19 4/4885

“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.