SCHEMBL17716546

SCHEMBL17716546

Cc1c(-c2ccc(C#N)cc2)c(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ USP2 O75604 7/20 0.48
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ GAA P10253 5/20 0.48
▸ CASP1 P29466 5/20 0.48
▸ CASP7 P55210 5/20 0.48
▸ LMNA P02545 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ ATM Q13315 3/20 0.48
▸ GLA P06280 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALOX15 P16050 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 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
SCHEMBL17716545 0.89 USP2 (0.46) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL17716547 0.83 MEN1 (0.47) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL17914323 0.81 ALDH1A1 (0.62) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL14088018 0.79 MEN1 (0.45) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL14087996 0.77 ALDH1A1 (0.44) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL4387130 0.77 ALDH1A1 (0.57) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL17716529 0.77 MCL1 (0.46) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL14088016 0.76 ALDH1A1 (0.43) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL17716528 0.76 MEN1 (0.45) ALDH1A1USP2MEN1KMT2AMAPT
SCHEMBL20202831 0.75 ALDH1A1 (0.55) ALDH1A1USP2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188535-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION 2020-06-18 — — US disclosed
US-20160121002-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION (US) 2016-05-05 — — US disclosed
US-20160121002-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION (US) 2016-05-05 — — 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-20160121002-A1 Bioorthogonal Turn-on Probes MPI, TIPRL, BAZ1A ALDH1A1 2490/4885USP2 4250/4885MEN1 381/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A ALDH1A1 2947/4885USP2 4226/4885MEN1 477/4885

“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.

Send feedback