SCHEMBL11352

SCHEMBL11352

O=c1nc2[nH]c(-c3ccccc3F)cc(=O)n2cc1I

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LDHA P00338 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
KDM5B Q9UGL1 2/20 0.36
CDC7 O00311 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.34
MTOR P42345 1/20 0.34
NPY5R Q15761 1/20 0.34
FFAR1 O14842 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL11920 0.74 MC4R (0.37) ADORA2AADORA1CDC7FFAR1
SCHEMBL20076038 0.69 ADORA2A (0.47) ADORA2AADORA1LDHAALDH1A1HPGD
SCHEMBL8510 0.67 PARP1 (0.42) ADORA2AADORA1KDM4EALDH1A1
SCHEMBL2197780 0.65 KDM5B (0.43) ADORA2AADORA1LDHAKDM5BCDC7
SCHEMBL7809115 0.62 KDM5B (0.47) ADORA2AADORA1LDHAHPGDKDM5B
SCHEMBL31081342 0.62 KDM5B (0.47) ADORA2AADORA1LDHAHPGDKDM5B
SCHEMBL2558526 0.61 DAO (0.49) ADORA2AADORA1ALDH1A1CDC7NPC1
SCHEMBL17389023 0.61 ADORA2A (0.46) ADORA2AADORA1ALDH1A1CDC7NPC1
SCHEMBL3300154 0.59 PARP1 (0.46) ADORA2AADORA1LDHAKDM5BCDC7
SCHEMBL11795033 0.59 KDR (0.58) KDM4EALDH1A1HPGDNPC1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259825-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
WO-2011047320-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (4 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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT ADORA2A 4002/4885ADORA1 3236/4885LDHA 690/4885
US-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT ADORA2A 4002/4885ADORA1 3236/4885LDHA 690/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT ADORA2A 4002/4885ADORA1 3236/4885LDHA 690/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT ADORA2A 4002/4885ADORA1 3236/4885LDHA 690/4885

“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.