SCHEMBL19232158

SCHEMBL19232158

CCC(C)(C)c1ccc(C#N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 1/20 0.42
CYP2A6 P11509 1/20 0.38
CYP19A1 P11511 2/20 0.38
HSD11B1 P28845 2/20 0.36
PDE10A Q9Y233 1/20 0.35
CCR6 P51684 2/20 0.35
KIF11 P52732 1/20 0.35
CCR9 P51686 1/20 0.35
CYP11B2 P19099 1/20 0.34
PANK3 Q9H999 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL19232104 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19464705 0.86 KDM4E (0.41) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL21166257 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL1243269 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19464700 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL29858989 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL18397439 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL20304972 0.78 CHRNA7 (0.44) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19464607 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL12064460 0.74 CLK4 (0.35) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242332-B2 Method for producing benzimidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-02-08 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-20200071295-A1 METHOD FOR PRODUCING BENZIMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2020-03-05 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 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-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2018-04-05 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
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 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 (11 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT KDM4E 272/4885ALDH1A1 707/4885HPGD 129/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 KDM4E 1648/4885ALDH1A1 1320/4885HPGD 1676/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT KDM4E 272/4885ALDH1A1 707/4885HPGD 129/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KDM4E 1648/4885ALDH1A1 1320/4885HPGD 1676/4885
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR KDM4E 4612/4885ALDH1A1 1700/4885HPGD 1202/4885
US-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 KDM4E 2241/4885ALDH1A1 1069/4885HPGD 694/4885
US-11242332-B2 Method for producing benzimidazole derivative CYP3A4, CYP3A5, CYP3A43 KDM4E 1092/4885ALDH1A1 268/4885HPGD 174/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KDM4E 375/4885ALDH1A1 263/4885HPGD 65/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KDM4E 375/4885ALDH1A1 263/4885HPGD 65/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR KDM4E 4612/4885ALDH1A1 1700/4885HPGD 1202/4885
US-20200071295-A1 METHOD FOR PRODUCING BENZIMIDAZOLE DERIVATIVE CYP3A4, CYP3A5, CYP3A43 KDM4E 1092/4885ALDH1A1 268/4885HPGD 174/4885

“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.