SCHEMBL2288771

SCHEMBL2288771

Cc1cnc(-c2ccccc2I)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 9/20 0.43
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
KLK1 P06870 1/20 0.41
PRSS1 P07477 1/20 0.41
C1S P09871 1/20 0.41
CTSG P08311 1/20 0.38
KLK7 P49862 1/20 0.38
KLK14 Q9P0G3 1/20 0.38
KLK5 Q9Y337 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CASP3 P42574 3/20 0.37
SENP8 Q96LD8 3/20 0.37
SENP7 Q9BQF6 3/20 0.37
SENP6 Q9GZR1 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EDNRB P24530 1/20 0.37

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
SCHEMBL23176766 0.81 RAB9A (0.59) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL12794312 0.79 EDNRB (0.39) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL18955869 0.78 TTR (0.45) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL5542159 0.78 C1R (0.41) C1RF2PLGKLK1PRSS1
SCHEMBL1207825 0.78 NPC1 (0.45) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL13086663 0.78 NPC1 (0.60) C1RKDM4EALDH1A1NPC1RAB9A
SCHEMBL5540045 0.78 KDM4E (0.59) C1RF2KDM4EALDH1A1NPC1
SCHEMBL23176774 0.75 ATR (0.41) KDM4EALDH1A1NPC1RAB9ACASP3
Methyl Alcohol SCHEMBL27795304 0.75 NPC1 (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9510677 0.75 ALOX15 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2163554-B1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2012-08-01 EP disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
EP-2163554-A1 PYRIMIDODIAZEPINONE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2010-03-17 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 C1R 1202/4885F2 4718/4885PLG 4865/4885
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D C1R 2635/4885F2 1835/4885PLG 2999/4885

“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.