SCHEMBL20239181

SCHEMBL20239181

Cc1cc(CNc2ncc(Cl)cn2)cc(Oc2ccc(CNC(=O)CO)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
GLA P06280 1/20 0.45
VNN1 O95497 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP3A4 P08684 2/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL20239247 0.91 LMNA (0.49) ALDH1A1LMNAGLAVNN1CYP1A2
SCHEMBL20259251 0.86 ALDH1A1 (0.43) ALDH1A1LMNAGLAVNN1CYP1A2
SCHEMBL20239287 0.82 DGAT2 (0.45) ALDH1A1LMNAGLAVNN1CYP1A2
Hydrochloric Acid SCHEMBL21924533 0.81 DGAT2 (0.44) ALDH1A1LMNAGLAVNN1CYP1A2
SCHEMBL20239221 0.77 VNN1 (0.45) ALDH1A1LMNAGLAVNN1CYP1A2
SCHEMBL20239223 0.74 VNN1 (0.47) GLAVNN1CYP1A2CYP2C9CYP2C19
SCHEMBL20239262 0.72 DGAT2 (0.41) ALDH1A1VNN1CYP1A2CYP2C19DGAT2
SCHEMBL20239156 0.71 VNN1 (0.46) VNN1SMN1; SMN2HTT
SCHEMBL20239254 0.71 ALDH1A1 (0.48) ALDH1A1LMNAGLACYP1A2CYP2C9
SCHEMBL18249766 0.70 PLAAT3 (0.44) VNN1HDAC3HDAC1HDAC2HDAC6

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
EP-3298001-B1 DGAT2 INHIBITORS LILLY CO ELI (US) 2020-05-13 EP disclosed
US-10053429-B2 DGAT2 inhibitors ELI LILLY AND COMPANY (US) 2018-08-21 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT ALDH1A1 1430/4885LMNA 2022/4885GLA 267/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT ALDH1A1 1189/4885LMNA 1722/4885GLA 258/4885

“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.