SCHEMBL9033291

SCHEMBL9033291

O=C1N(Cc2ccccc2)C(O)[C@@H]2CSC(c3ccccc3)N12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
POLB P06746 2/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL24741355 1.00 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL5739211 1.00 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL9679547 1.00 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL5739207 1.00 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL38657586 1.00 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL9737057 0.85 CYP2C9 (0.46) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL30480079 0.85 CYP2C9 (0.46) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL9737464 0.85 CYP2C9 (0.46) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL9738098 0.82 EHMT2 (0.46) KMT2AMEN1CYP2C19CYP2C9EHMT2
SCHEMBL10072991 0.82 KMT2A (0.55) KMT2AMEN1POLBSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052473-B1 A PROCESS FOR THE PREPARATION OF INTERMEDIATE FOR THE PREPARATION OF OSELTAMIVIR PHOSPHATE COUNCIL SCIENT IND RES (IN) 2018-01-17 EP disclosed
US-9522922-B2 Process for the preparation of intermediate for the preparation of oseltamivir phosphate COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-12-20 US disclosed
US-20160222029-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATE FOR THE PREPARATION OF OSELTAMIVIR PHOSPHATE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-08-04 US disclosed
EP-0415166-B1 Process for the preparation of cyanohydantoines MERCK PATENT GMBH (DE) 1996-11-20 EP disclosed
US-5095118-A PROCESS FOR THE PREPARATION OF D-(+)-BIOTIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-10 US disclosed
EP-0242686-B1 PROCESS FOR THE PREPARATION OF D-(+)-BIOTINE MERCK PATENT GmbH (DE) 1992-01-29 EP disclosed
EP-0415166-A2 Process for the preparation of cyanohydantoines MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed
US-4937351-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-26 US disclosed
US-4877882-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed
US-4837402-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-06-06 US disclosed
US-4732987-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-03-22 US disclosed
EP-0242686-A2 Process for the preparation of D-(+)-biotine MERCK PATENT GmbH (DE) 1987-10-28 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-20160222029-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATE FOR THE PREPARATION OF OSELTAMIVIR PHOSPHATE OSGEP, CYP2B6, CYP2F1 KMT2A 1993/4885MEN1 4075/4885CYP2C19 27/4885

“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.