SCHEMBL780481

SCHEMBL780481

O=C(C=Cc1ccc(Cl)c(Cl)c1)CCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.65
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
PAX8 Q06710 1/20 0.57
SIGMAR1 Q99720 1/20 0.50
GPR183 P32249 2/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
ITGB2 P05107 3/20 0.46
ICAM1 P05362 3/20 0.46
ITGAL P20701 3/20 0.46
KDM4E B2RXH2 3/20 0.46
PYGL P06737 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL780480 1.00 HSP90AA1 (0.65) HSP90AA1NPC1RAB9ATDP1PAX8
Hydrochloric Acid SCHEMBL11122742 0.99 HSP90AA1 (0.67) HSP90AA1NPC1RAB9ATDP1PAX8
Hydrochloric Acid SCHEMBL11122746 0.99 HSP90AA1 (0.67) HSP90AA1NPC1RAB9ATDP1PAX8
Water SCHEMBL11120619 0.92 HSP90AA1 (0.57) HSP90AA1NPC1RAB9ATDP1PAX8
Water SCHEMBL11120616 0.92 HSP90AA1 (0.57) HSP90AA1NPC1RAB9ATDP1PAX8
Cadaverine Tartrate SCHEMBL11197504 0.92 HSP90AA1 (0.60) HSP90AA1NPC1RAB9ATDP1PAX8
Cadaverine Tartrate SCHEMBL11119965 0.92 HSP90AA1 (0.60) HSP90AA1NPC1RAB9ATDP1PAX8
Citric Acid SCHEMBL11120376 0.89 HSP90AA1 (0.55) HSP90AA1NPC1RAB9ATDP1PAX8
Citric Acid SCHEMBL11120383 0.89 HSP90AA1 (0.55) HSP90AA1NPC1RAB9ATDP1PAX8
SCHEMBL780339 0.86 HSP90AA1 (0.74) HSP90AA1NPC1RAB9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043141-B1 PHARMACEUTICAL COMPOSITIONS HAVING ANTIVIRAL ACTIVITY FOR TOPICAL ADMINISTRATION AND THE USE OF 1-(SUBSTITUTED PHENYL)-5-(4-MORPHOLINYL)-1-PENTEN-3-ONE COMPOUNDS FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS HAVING AN ANTIVIRAL EFFECT MERRELL DOW PHARMACEUTICALS INC. (US) 1984-09-12 EP claimed
US-4400380-A HERBES VIRUS; TOPICAL MERRELL DOW PHARMACEUTICALS INC. (US) 1983-08-23 US claimed
EP-0043141-A1 Pharmaceutical compositions having antiviral activity for topical administration and the use of 1-(substituted phenyl)-5-(4-morpholinyl)-1-penten-3-one compounds for the preparation of pharmaceutical compositions having an antiviral effect MERRELL DOW PHARMACEUTICALS INC. (US) 1982-01-06 EP claimed
US-20250041255-A1 COMPOSITIONS AND METHODS FOR TREATING AUTOIMMUNE SKIN DISEASES YALE UNIVERSITY 2025-02-06 US disclosed
US-10881656-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2021-01-05 US disclosed
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-08 US disclosed
US-9604958-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2017-03-28 US disclosed
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2015-01-22 US disclosed
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2012-03-22 US disclosed
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 WO disclosed
EP-0043141-B1 PHARMACEUTICAL COMPOSITIONS HAVING ANTIVIRAL ACTIVITY FOR TOPICAL ADMINISTRATION AND THE USE OF 1-(SUBSTITUTED PHENYL)-5-(4-MORPHOLINYL)-1-PENTEN-3-ONE COMPOUNDS FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS HAVING AN ANTIVIRAL EFFECT MERRELL DOW PHARMACEUTICALS INC. (US) 1984-09-12 EP disclosed
US-4400380-A HERBES VIRUS; TOPICAL MERRELL DOW PHARMACEUTICALS INC. (US) 1983-08-23 US disclosed
EP-0043141-A1 Pharmaceutical compositions having antiviral activity for topical administration and the use of 1-(substituted phenyl)-5-(4-morpholinyl)-1-penten-3-one compounds for the preparation of pharmaceutical compositions having an antiviral effect MERRELL DOW PHARMACEUTICALS INC. (US) 1982-01-06 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 (5 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-10881656-B2 HIF inhibitors and use thereof HIF1AN, HIF1A, EGLN3 HSP90AA1 110/4885NPC1 1531/4885RAB9A 4101/4885
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 HSP90AA1 110/4885NPC1 1531/4885RAB9A 4101/4885
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 HSP90AA1 110/4885NPC1 1531/4885RAB9A 4101/4885
US-20250041255-A1 COMPOSITIONS AND METHODS FOR TREATING AUTOIMMUNE SKIN DISEASES HIF1AN, HIF1A, SSB HSP90AA1 918/4885NPC1 4289/4885RAB9A 3489/4885
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 HSP90AA1 110/4885NPC1 1531/4885RAB9A 4101/4885

“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.