SCHEMBL14065337

SCHEMBL14065337

O=[N+]([O-])c1cc(Cc2ccccc2)cnc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP19A1 P11511 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
NOD2 Q9HC29 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RIPK1 Q13546 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 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
SCHEMBL4584917 0.85 TDP1 (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14065340 0.82 ALDH1A1 (0.42) PIN1MEN1KMT2AMAPTNPC1
SCHEMBL3770870 0.79 MAPT (0.42) PIN1MEN1KMT2ACYP19A1MAPT
SCHEMBL14065336 0.75 POLB (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8723686 0.74 CALM1 (0.44) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL27986576 0.74 HTR1A (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5038066 0.74 PIN1 (0.37) PIN1MEN1KMT2ACYP19A1MAPT
SCHEMBL5036418 0.74 EPHX2 (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5041243 0.74 MAPT (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6951249 0.73 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-20080234231-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US 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 (6 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 PIN1 199/4885MEN1 4802/4885KMT2A 502/4885
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 PIN1 115/4885MEN1 4841/4885KMT2A 682/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 PIN1 92/4885MEN1 4837/4885KMT2A 819/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 PIN1 342/4885MEN1 4822/4885KMT2A 1762/4885
US-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 PIN1 102/4885MEN1 4832/4885KMT2A 816/4885
US-20080234231-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 PIN1 102/4885MEN1 4832/4885KMT2A 816/4885

“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.