SCHEMBL17716552

SCHEMBL17716552

COCOc1c(F)cc2c(C)c(-c3cccc(C#N)c3)c(=O)oc2c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ PARP3 Q9Y6F1 1/20 0.36
▸ KCNA3 P22001 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL17716550 0.81 ERAP1 (0.41) MAOBKCNA3ALDH1A1KDM4ENPC1
SCHEMBL17716548 0.67 ERAP1 (0.50) MAOBKCNA3ALDH1A1KDM4ENPC1
SCHEMBL23820036 0.65 ALDH1A1 (0.41) KCNA3ALDH1A1KDM4ENPC1RAB9A
SCHEMBL17716545 0.64 USP2 (0.46) KCNA3ALDH1A1KDM4ENPC1RAB9A
SCHEMBL17717370 0.61 ATM (0.50) MAOBKCNA3ALDH1A1KDM4ENPC1
SCHEMBL17716531 0.61 ERAP1 (0.38) KCNA3ALDH1A1KDM4ENPC1RAB9A
SCHEMBL16127479 0.61 CLK4 (0.52) MAOBGABRG2GABRB3GABRA3
SCHEMBL24085349 0.61 CLK4 (0.52) MAOBGABRG2GABRB3GABRA3
SCHEMBL17716534 0.61 ERAP1 (0.37) KCNA3ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6490663 0.60 TBXAS1 (0.47) SMN1; SMN2GABRG2GABRB3GABRA3

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 MAOB 1092/4885PARP1 1168/4885PARP3 3287/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A MAOB 995/4885PARP1 1305/4885PARP3 3103/4885

“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.

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