SCHEMBL19965677

SCHEMBL19965677

CCC(C)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA14 Q9ULX7 1/20 0.62
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 2/20 0.51
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KLK7 P49862 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL20852746 1.00 CA1 (0.62) CA1CA2CA7CA14ALDH1A1
SCHEMBL26503489 0.84 MEN1 (0.51) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL19592404 0.84 MEN1 (0.65) CA1CA2CA7CA14ALDH1A1
SCHEMBL12125174 0.84 CA1 (0.64) CA1CA2CA7CA14ALDH1A1
SCHEMBL97700 0.84 CA1 (0.64) CA1CA2CA7CA14ALDH1A1
SCHEMBL9514933 0.83 MME (0.53) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5150082 0.82 CA1 (0.62) CA1CA2CA7CA14MEN1
SCHEMBL22002689 0.82 CA1 (0.62) CA1CA2CA7CA14KDM4E
SCHEMBL13046444 0.82 CA1 (0.62) CA1CA2CA7CA14ALDH1A1
SCHEMBL10728276 0.82 ALDH1A1 (0.50) ALDH1A1RAB9AMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
EP-3789378-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND HETEROARYL Grünenthal GmbH (DE) 2021-03-10 EP disclosed
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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 (4 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-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 CA1 3863/4885CA2 1311/4885CA7 3514/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CA1 2221/4885CA2 1487/4885CA7 2029/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT CA1 2221/4885CA2 1487/4885CA7 2029/4885
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 CA1 3863/4885CA2 1311/4885CA7 3514/4885

“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.