SCHEMBL344103

SCHEMBL344103

CCCCc1cnc2c(C(=O)OC)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.57
RIPK1 Q13546 1/20 0.47
PSMD14 O00487 1/20 0.44
MDH1 P40925 1/20 0.42
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL345197 0.95 PARP1 (0.55) PARP1RIPK1PSMD14MDH1MAPT
SCHEMBL344417 0.86 PARP1 (0.58) PARP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL9124270 0.84 PARP1 (0.59) PARP1PSMD14ALDH1A1KDM4EKMT2A
SCHEMBL345367 0.81 PARP1 (0.55) PARP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL15427587 0.80 PARP1 (0.43) PARP1PSMD14MEN1TSHRKMT2A
SCHEMBL345007 0.78 DHODH (0.54) RIPK1MDH1ALDH1A1MAPTKDM4E
SCHEMBL343891 0.77 PSMD14 (0.51) PARP1PSMD14ALDH1A1KDM4ELMNA
SCHEMBL6420958 0.77 PARP1 (0.68) PARP1PSMD14ALDH1A1KDM4EKMT2A
SCHEMBL343945 0.76 MAPK1 (0.50) PARP1MDH1MAPTMEN1LMNA
SCHEMBL28892424 0.76 PARP1 (0.55) PARP1PSMD14ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 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 (3 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RIPK1 4744/4885PSMD14 3881/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RIPK1 4744/4885PSMD14 3881/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RIPK1 4744/4885PSMD14 3881/4885

“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.