SCHEMBL4516395

SCHEMBL4516395

CCC(C)(C)NC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
NPSR1 Q6W5P4 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NAMPT P43490 1/20 0.56
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX1 P07099 1/20 0.50
GAA P10253 1/20 0.48
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL12833048 0.86 POLB (0.73) POLBNPSR1L3MBTL1NAMPTCYP2C9
SCHEMBL13290682 0.85 POLB (0.67) POLBNPSR1L3MBTL1ALDH1A1CYP2C9
SCHEMBL621869 0.85 POLB (0.71) POLBNPSR1CYP2C9SMN1; SMN2EPHX1
SCHEMBL3025327 0.83 POLB (0.69) POLBNPSR1CYP2C9SMN1; SMN2EPHX1
SCHEMBL9623645 0.83 POLB (0.69) POLBNPSR1L3MBTL1MEN1KMT2A
SCHEMBL24263392 0.83 POLB (1.00) POLBNPSR1HTTCYP2C9SMN1; SMN2
SCHEMBL19592503 0.83 HTT (0.54) POLBNPSR1L3MBTL1NAMPTHTT
SCHEMBL13994618 0.82 POLB (0.58) POLBNPSR1L3MBTL1MEN1KMT2A
SCHEMBL2917793 0.82 HPGD (0.48) POLBNPSR1L3MBTL1NAMPTHTT
SCHEMBL13702268 0.82 NPSR1 (0.61) POLBNPSR1L3MBTL1ALDH1A1CYP2C9

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 US disclosed
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO disclosed
US-4891297-A STORAGE STABILITY, HIGH COLOR DENSITY FUJI PHOTO FILM CO.,LTD. (JP) 1990-01-02 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-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS RIPK3, RIPK1, RIPK4 POLB 2769/4885NPSR1 4119/4885L3MBTL1 3918/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 POLB 2769/4885NPSR1 4119/4885L3MBTL1 3918/4885
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 POLB 3533/4885NPSR1 2212/4885L3MBTL1 4442/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 POLB 2240/4885NPSR1 962/4885L3MBTL1 3811/4885

“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.