SCHEMBL5638673

SCHEMBL5638673

Oc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.71
RAB9A P51151 11/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
HPGD P15428 5/20 0.66
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
HSD17B10 Q99714 2/20 0.66
GLA P06280 1/20 0.66
MAPT P10636 1/20 0.66
ALOX15 P16050 1/20 0.66
MMP3 P08254 1/20 0.62
BCL2L1 Q07817 1/20 0.62
POLB P06746 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
PTPN1 P18031 1/20 0.59
ATAD2 Q6PL18 1/20 0.59

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
SCHEMBL6737766 0.98 NPC1 (0.74) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5638741 0.91 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL74999 0.89 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9737564 0.89 RAB9A (0.58) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL46424 0.89 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL522555 0.89 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL22858502 0.89 NPC1 (0.90) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5640017 0.87 RAB9A (0.59) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1105099 0.87 NPC1 (0.85) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4343181 0.87 NPC1 (0.94) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9859505-B2 Charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof or organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2018-01-02 US disclosed
US-20150053894-A1 Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-02-26 US disclosed
US-20150053894-A1 Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-02-26 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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 (1 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R NPC1 457/4885RAB9A 1063/4885SMN1; SMN2 4137/4885

“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.