SCHEMBL344589

SCHEMBL344589

CCCCc1cnc2c(C(=O)NCCc3ccc(C(=O)OC(C)C)s3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
RAB9A P51151 2/20 0.36
PSMD14 O00487 2/20 0.35
STAMBP O95630 2/20 0.35
COPS5 Q92905 2/20 0.35
CNR2 P34972 4/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CASP3 P42574 3/20 0.34
SENP8 Q96LD8 3/20 0.34
SENP7 Q9BQF6 3/20 0.34
SENP6 Q9GZR1 3/20 0.34
PCSK9 Q8NBP7 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
EDNRA P25101 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL15427587 0.91 PARP1 (0.43) PARP1RAB9APSMD14STAMBPCOPS5
SCHEMBL367739 0.88 PARP1 (0.42) PARP1RAB9APSMD14STAMBPCOPS5
SCHEMBL344300 0.82 S1PR1 (0.38) RAB9AKMT2ATAAR1
SCHEMBL344103 0.73 PARP1 (0.57) PARP1PSMD14MEN1KMT2ATRPV1
SCHEMBL19155527 0.73 PARP1 (0.40) PARP1KMT2A
SCHEMBL15427585 0.73 S1PR1 (0.40) RAB9A
SCHEMBL10031662 0.72 RAB9A (0.39) RAB9ANPC1TRPV1
SCHEMBL345378 0.72 THRB (0.43) PARP1MEN1NPC1KMT2ATRPV1
SCHEMBL344417 0.70 PARP1 (0.58) PARP1MEN1KMT2A
SCHEMBL345197 0.70 PARP1 (0.55) PARP1PSMD14TRPV1

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 1380/4885RAB9A 1818/4885PSMD14 3881/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RAB9A 1818/4885PSMD14 3881/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RAB9A 1818/4885PSMD14 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.