SCHEMBL4810388

SCHEMBL4810388

CCOC(=O)C1(C#N)Cc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.38
CACNA1C Q13936 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CACNA1F O60840 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6183360 0.80 BRD4 (0.48) ALDH1A1LMNARAB9AESR1ESR2
SCHEMBL1079975 0.70 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL31229354 0.70 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL31583802 0.70 ESR1 (0.43) KDM4EKMT2AESR1ESR2BRD4
SCHEMBL10924592 0.70 KDM4E (0.43) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL10708179 0.69 ESR1 (0.44) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL9757419 0.69 KDM4E (0.51) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4621097 0.68 TDP1 (0.43) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL21326790 0.68 ESR1 (0.44) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL27813078 0.68 TSHR (0.40) ALDH1A1KDM4ELMNAKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439356-B2 Substituted indan derivatives ASTRAZENECA AB (SE) 2008-10-21 US disclosed
US-7439356-B2 Substituted indan derivatives ASTRAZENECA AB (SE) 2008-10-21 US disclosed
US-20070149545-A1 Substituted indan derivatives BERG STEFAN 2007-06-28 US disclosed
US-20070149545-A1 Substituted indan derivatives BERG STEFAN 2007-06-28 US disclosed
US-20050096326-A1 Substituted indian derivatives BERG STEFAN (SE) 2005-05-05 US disclosed
EP-1025094-B1 SUBSTITUTED INDAN DERIVATIVES ASTRAZENECA AB (SE) 2004-08-25 EP disclosed
US-20030144291-A1 Substituted indan derivatives BERG STEFAN (SE) 2003-07-31 US disclosed
US-6548498-B1 4-(piperazino)-indan derivatives; 5-hydroxytryptamine receptor (h5-HT1B-receptor) antagonists; use treating psychological disorders, obesity, nervous system disorders and as antitumor agent ASTRAZENECA AB (SE) 2003-04-15 US disclosed
EP-1025094-A1 SUBSTITUTED INDAN DERIVATIVES Astrazeneca AB (SE) 2000-08-09 EP disclosed
WO-1999014207-A1 SUBSTITUTED INDAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 WO 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-20050096326-A1 Substituted indian derivatives HTR5A, TPH1, TPH2 ALDH1A1 377/4885KDM4E 2606/4885LMNA 2210/4885
US-20070149545-A1 Substituted indan derivatives CBR3, CORO1C, REL ALDH1A1 3381/4885KDM4E 3444/4885LMNA 4106/4885
US-20030144291-A1 Substituted indan derivatives NR2C2, INSR, REL ALDH1A1 1206/4885KDM4E 3565/4885LMNA 1716/4885

“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.