SCHEMBL2269376

SCHEMBL2269376

O=C1N=Cc2cccc3cccc1c23

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ CES2 O00748 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PARP1 P09874 2/20 0.45
▸ PABPC1 P11940 3/20 0.44
▸ DNMT1 P26358 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ TYMS P04818 4/20 0.42
▸ MAOA P21397 1/20 0.40
▸ ERCC1 P07992 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38

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
Hydrochloric Acid SCHEMBL7402913 0.98 ALDH1A1 (0.48) ALDH1A1CES2BCHECES1MCL1
SCHEMBL113314 0.76 GSK3B (0.40) ALDH1A1CES2BCHECES1MEN1
SCHEMBL29394879 0.76 GSK3B (0.40) ALDH1A1CES2BCHECES1MEN1
SCHEMBL11397543 0.76 ALDH1A1 (0.40) ALDH1A1CES2BCHECES1MCL1
Hydrochloric Acid SCHEMBL20475155 0.74 GSK3B (0.39) ALDH1A1CES2BCHECES1MEN1
SCHEMBL8581486 0.72 MEN1 (0.45) ALDH1A1CES2BCHECES1MEN1
SCHEMBL30613413 0.72 ALDH1A1 (0.35) ALDH1A1CES2BCHECES1MCL1
SCHEMBL1266199 0.72 ALDH1A1 (0.61) ALDH1A1CES2BCHECES1MCL1
SCHEMBL29473502 0.70 GRK6 (0.45) ALDH1A1MCL1KMT2AMAPTCYP3A4
SCHEMBL2637178 0.70 GRK6 (0.45) ALDH1A1MCL1KMT2AMAPTCYP3A4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430190-B1 New tricyclic compounds SYNTEX INC (US) 1995-07-05 — — EP claimed
US-20250186342-A1 ANTIEMETIC COMBINATIONS SPES PHARMACEUTICALS INC. 2025-06-12 — — US disclosed
US-20240415848-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2024-12-19 — — US disclosed
US-20120122915-A1 CRYSTALLINE FORMS OF PALONOSETRON HYDROCHLORIDE ROSSETTO PIERLUIGI (IT) 2012-05-17 — — US disclosed
US-20110178118-A1 PALONOSETRON FOR THE TREATMENT OF CHEMOTHERAPY INDUCED EMESES HELSINN HEALTHCARE SA (CH) 2011-07-21 — — US disclosed
EP-1596862-B1 USE OF PALONOSETRON FOR TREATING POST-OPERATIVE NAUSEA AND VOMITING HELSINN HEALTHCARE SA (CH) 2010-12-08 — — EP disclosed
EP-2258367-A2 Use of palonosetron for treating post-operative nausea and vomiting Helsinn Healthcare S.A. (CH) 2010-12-08 — — EP disclosed
US-7737280-B2 Processes for preparing palonosetron salts SICOR INC. (US) 2010-06-15 — — US disclosed
EP-2155199-A2 NOVEL PALONOSETRON SALTS AND PROCESSES FOR PREPARATION AND PURIFICATION THEREOF Chemagis Ltd. (IL) 2010-02-24 — — EP disclosed
US-20100016593-A1 CRYSTALLINE FORMS OF PALONOSETRON HYDROCHLORIDE SICOR INC. 2010-01-21 — — US disclosed
WO-2008146283-A2 NOVEL PALONOSETRON SALTS AND PROCESSES FOR PREPARATION AND PURIFICATION THEREOF CHEMAGIS LTD. (IL) 2008-12-04 — — WO disclosed
EP-1966197-A2 PROCESSES FOR PREPARING PALONOSETRON SALTS Sicor, Inc. (US) 2008-09-10 — — EP disclosed
EP-1960397-A2 CRYSTALLINE FORMS OF PALONOSETRON HYDROCHLORIDE Sicor Inc. (US) 2008-08-27 — — EP disclosed
US-20080200681-A1 Processes for preparing palonosetron salts SICOR INC. 2008-08-21 — — US disclosed
WO-2008051564-A2 CRYSTALLINE FORMS OF PALONOSETRON HYDROCHLORIDE SICOR INC. (US) 2008-05-02 — — WO disclosed
WO-2008051539-A2 PROCESSES FOR PREPARING PALONOSETRON SALTS SICOR INC. (US) 2008-05-02 — — WO disclosed
US-20060079545-A1 Palonosetron for the treatment of chemotherapy induced emeses HELSINN HEALTHCARE SA (CH) 2006-04-13 — — US disclosed
US-20060074101-A1 Method of treating post operative nausea and vomiting HELSINN HEALTHCARE SA (CH) 2006-04-06 — — US disclosed
EP-0457243-A1 Novel tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1991-11-21 — — EP disclosed
US-4959361-A Triazolo(4,3-A)(1,4)benzodiazepines and thieno (3,2-F)(1,2,4)triazolo(4,3-A)(1,4)diazepine compounds which have useful activity as platelet activating factor (PAF) antagonists HOFFMANN-LA ROCHE INC. (US) 1990-09-25 — — 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 (8 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-20250186342-A1 ANTIEMETIC COMBINATIONS CRH, AVPR2, AVPR1B ALDH1A1 3109/4885CES2 1545/4885BCHE 1207/4885
US-20120122915-A1 CRYSTALLINE FORMS OF PALONOSETRON HYDROCHLORIDE HTR5A, HTR3A, LPXN ALDH1A1 4651/4885CES2 3913/4885BCHE 2104/4885
US-20240415848-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN3A, OPRK1, GRIN2B ALDH1A1 1624/4885CES2 785/4885BCHE 268/4885
US-20100016593-A1 CRYSTALLINE FORMS OF PALONOSETRON HYDROCHLORIDE HTR5A, HTR3A, LPXN ALDH1A1 4651/4885CES2 3913/4885BCHE 2104/4885
US-20080200681-A1 Processes for preparing palonosetron salts CYP3A43, CYP3A5, CYP4A11 ALDH1A1 3939/4885CES2 2998/4885BCHE 2754/4885
US-20060079545-A1 Palonosetron for the treatment of chemotherapy induced emeses HTR3A, HTR3C, HTR3B ALDH1A1 4262/4885CES2 1632/4885BCHE 1064/4885
US-20060074101-A1 Method of treating post operative nausea and vomiting HTR3A, HTR3C, HTR5A ALDH1A1 3930/4885CES2 1392/4885BCHE 267/4885
US-20110178118-A1 PALONOSETRON FOR THE TREATMENT OF CHEMOTHERAPY INDUCED EMESES HTR3A, HTR3C, HTR3B ALDH1A1 4262/4885CES2 1632/4885BCHE 1064/4885

“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.

Send feedback