SCHEMBL7981695

SCHEMBL7981695

COC(=O)c1ccc(/C=C/c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
PTPN1 P18031 1/20 0.61
SNCA P37840 1/20 0.60
ALDH1A1 P00352 3/20 0.59
MAPT P10636 7/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 4/20 0.55
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 3/20 0.54
KMT2A Q03164 2/20 0.50
CA1 P00915 2/20 0.50

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
SCHEMBL7975551 1.00 KDM1A (0.64) KDM1AHDAC1HDAC6PTPN1SNCA
SCHEMBL7975552 1.00 KDM1A (0.64) KDM1AHDAC1HDAC6PTPN1SNCA
SCHEMBL19076177 0.93 ALDH1A1 (0.56) KDM1AHDAC1HDAC6PTPN1SNCA
SCHEMBL4411642 0.91 KDM1A (0.54) KDM1AHDAC1HDAC6PTPN1SNCA
SCHEMBL71401 0.89 PTPN1 (0.73) PTPN1ALDH1A1MAPTKDM4ENPC1
SCHEMBL71402 0.89 PTPN1 (0.73) PTPN1ALDH1A1MAPTKDM4ENPC1
SCHEMBL2627847 0.89 PTPN1 (0.73) PTPN1ALDH1A1MAPTKDM4ENPC1
SCHEMBL5379059 0.89 PTPN1 (0.73) PTPN1ALDH1A1MAPTKDM4ENPC1
SCHEMBL31301140 0.89 PTPN1 (0.73) PTPN1ALDH1A1MAPTKDM4ENPC1
SCHEMBL6841640 0.86 CYP1A2 (0.53) KDM1AHDAC1HDAC6PTPN1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 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 (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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 KDM1A 4745/4885HDAC1 4591/4885HDAC6 1434/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KDM1A 4438/4885HDAC1 702/4885HDAC6 552/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 KDM1A 4745/4885HDAC1 4591/4885HDAC6 1434/4885

“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.