SCHEMBL19618196

SCHEMBL19618196

CC(C)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LTA4H P09960 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL10051741 0.90 MEN1 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL21671263 0.87 MEN1 (0.56) MEN1KMT2ACA12CA1CA2
SCHEMBL25002073 0.86 MEN1 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL19042827 0.86 MEN1 (0.58) MEN1KMT2ACA12CA1CA2
SCHEMBL25863651 0.84 AAK1 (0.56) LTA4H
SCHEMBL18268264 0.83 MEN1 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL21862103 0.82 MEN1 (0.60) MEN1KMT2ACA12CA1CA2
SCHEMBL16252543 0.82 KMT2A (0.57) MEN1KMT2ACA12CA1CA2
SCHEMBL22394067 0.82 MEN1 (0.53) MEN1KMT2ACA12CA1CA2
SCHEMBL24252193 0.81 SMN1; SMN2 (0.51) MEN1KMT2AMAPTLTA4HSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
US-20180079781-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2018-03-22 US disclosed
US-9902740-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20180051031-A1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE THE SCRIPPS RESEARCH INSTITUTE 2018-02-22 US disclosed
US-20180037581-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL MYERS SQUIBB CO (US) 2018-02-08 US disclosed
US-9822112-B2 Heteroarylene-bridged benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MEYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-9822144-B2 Benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 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 (5 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-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR TLR7, TLR1, TLR9 MEN1 4020/4885KMT2A 2617/4885CA12 4864/4885
US-20180037581-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 MEN1 1678/4885KMT2A 934/4885CA12 829/4885
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF MEN1 1468/4885KMT2A 1718/4885CA12 703/4885
US-20180051031-A1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE CD22, GDI2, GDI1 MEN1 3919/4885KMT2A 2345/4885CA12 323/4885
US-20180079781-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 MEN1 1253/4885KMT2A 874/4885CA12 688/4885

“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.