SCHEMBL6545341

SCHEMBL6545341

[NH]C(N)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.64
SLC6A2 P23975 2/20 0.58
TAAR1 Q96RJ0 2/20 0.58
SLC6A4 P31645 2/20 0.58
MAOA P21397 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
CYP2A6 P11509 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
ANPEP P15144 2/20 0.54
CYP2D6 P10635 1/20 0.54
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
LAP3 P28838 3/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47

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
SCHEMBL24017042 0.78 EPHX1 (0.70) EPHX1SLC6A2TAAR1SLC6A4MAOA
SCHEMBL9536448 0.78 EPHX1 (0.70) EPHX1SLC6A2TAAR1SLC6A4MAOA
SCHEMBL28656 0.78 EPHX1 (1.00) EPHX1SLC6A2TAAR1SLC6A4MAOA
SCHEMBL4469506 0.78 EPHX1 (0.55) EPHX1SLC6A2TAAR1SLC6A4MAOA
SCHEMBL708446 0.78 EPHX1 (0.70) EPHX1SLC6A2TAAR1SLC6A4MAOA
Hydrochloric Acid SCHEMBL9402300 0.76 EPHX1 (0.94) EPHX1SLC6A2TAAR1SLC6A4MAOA
Hydrochloric Acid SCHEMBL15758369 0.76 EPHX1 (0.67) EPHX1SLC6A2TAAR1SLC6A4MAOA
SCHEMBL5232841 0.75 EPHX1 (0.73) EPHX1SLC6A2TAAR1SLC6A4MAOA
SCHEMBL4672040 0.75 EPHX1 (0.73) EPHX1SLC6A2TAAR1SLC6A4MAOA
SCHEMBL7216192 0.75 EPHX1 (0.73) EPHX1SLC6A2TAAR1SLC6A4MAOA

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-6696500-B2 BIOACTIVE SUBSTANCE HAVING ACIDIC GROUP AND A BIODEGRADABLE POLYMER HAVING AN OPTIONALLY PROTECTED BASIC GROUP, SUCH AS A POLYLACTONE THAT HAS BEEN ESTERIFIED, AMIDATED, OR THIOESTERIFIED WITH A COMPOUND HAVING CYCLIC AMINO GROUPS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-24 US disclosed
EP-0815853-B1 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-21 EP disclosed
US-20010038854-A1 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-6264970-B1 BIODEGRADABLE POLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-0815853-A2 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 EP 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 (1 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-20010038854-A1 Sustained-release preparation BMP2, PGF, AREG EPHX1 2250/4885SLC6A2 1477/4885TAAR1 2675/4885

“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.