SCHEMBL905673

SCHEMBL905673

CCCCCCCCCCONc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
FAAH O00519 6/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL18049455 1.00 LTA4H (0.46) LTA4HEPHX1ALDH1A1HTTFAAH
SCHEMBL7593121 1.00 LTA4H (0.46) LTA4HEPHX1ALDH1A1HTTFAAH
SCHEMBL8389397 1.00 LTA4H (0.46) LTA4HEPHX1ALDH1A1HTTFAAH
Benzene SCHEMBL27363600 1.00 LTA4H (0.46) LTA4HEPHX1ALDH1A1HTTFAAH
SCHEMBL3523840 1.00 LTA4H (0.46) LTA4HEPHX1ALDH1A1HTTFAAH
SCHEMBL2803168 1.00 LTA4H (0.46) LTA4HEPHX1ALDH1A1HTTFAAH
SCHEMBL9169265 1.00 LTA4H (0.46) LTA4HEPHX1ALDH1A1HTTFAAH
SCHEMBL11672538 1.00 LTA4H (0.46) LTA4HEPHX1ALDH1A1HTTFAAH
Hydrochloric Acid SCHEMBL4942620 0.98 LTA4H (0.44) LTA4HEPHX1ALDH1A1HTTFAAH
Hydrochloric Acid SCHEMBL28569833 0.98 LTA4H (0.44) LTA4HEPHX1ALDH1A1HTTFAAH

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-2277595-A2 Compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-26 EP disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 US disclosed
EP-1765313-A2 COMPOUNDS FOR IMMUNOPOTENTIATION Novartis Vaccines and Diagnostics, Inc. (US) 2007-03-28 EP disclosed
WO-2006002422-A9 COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORP (US) 2006-09-21 WO disclosed
WO-2006002422-A2 COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-01-05 WO disclosed
EP-0970070-B1 PHTHALAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2004-10-06 EP disclosed
US-6710047-B2 INHIBIT THE ACTIVITY OF THE VEGF RECEPTOR TYROSINE KINASE AND THE GROWTH OF TUMOURS NOVARTIS AG (CH) 2004-03-23 US disclosed
US-20030191129-A1 Phthalazines with angiogenesis inhibiting activity BOLD GUIDO (CH) 2003-10-09 US disclosed
US-6514974-B2 1-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine for example NOVARTIS AG (CH) 2003-02-04 US disclosed
US-20020091261-A1 Phthalazines with angiogenesis inhibiting activity BOLD GUIDO (CH) 2002-07-11 US disclosed
US-6258812-B1 ANGIOGENESIS INHIBITORS, ANTITUMOR AGENTS AND CARDIOVASCULAR DISORDERS NOVARTIS AG (CH) 2001-07-10 US disclosed
EP-0970070-A1 PHTHALAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Novartis AG (CH) 2000-01-12 EP disclosed
WO-1998035958-A1 PHTHALAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 1998-08-20 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-20030191129-A1 Phthalazines with angiogenesis inhibiting activity PGF, VEGFA, FLT4 LTA4H 2394/4885EPHX1 1859/4885ALDH1A1 1675/4885
US-20100226931-A1 Compounds for immunopotentiation LY96, ICOS, PDCD1 LTA4H 1940/4885EPHX1 2420/4885ALDH1A1 3995/4885
US-20020091261-A1 Phthalazines with angiogenesis inhibiting activity PGF, VEGFA, FLT4 LTA4H 2066/4885EPHX1 2087/4885ALDH1A1 1503/4885

“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.